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| CAS No.: | 142-04-1 |
|---|---|
| Name: | Aniline hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C6H7N.HCl |
| Molecular Weight: | 129.589 |
| Synonyms: | Aniline,hydrochloride (6CI,8CI);Benzenamine, hydrochloride (9CI);Anilinium chloride;C.I. 76001;Phenylamine hydrochloride;Phenylammonium chloride; |
| EINECS: | 205-519-8 |
| Density: | 1.2215 g/cm3 |
| Melting Point: | 196-198 °C(lit.) |
| Boiling Point: | 184.4 °C at 760 mmHg |
| Flash Point: | 70 °C |
| Solubility: | 1070 g/L (25 °C) in water |
| Appearance: | white to off-white crystals |
| Hazard Symbols: |
 T,  N
|
| Risk Codes: | 23/24/25-40-41-43-48/23/24/25-50-68 |
| Safety: | 26-27-36/37/39-45-61-63 |
| Transport Information: | UN 1548 6.1/PG 3 |
| PSA: | 26.02000 |
| LogP: | 2.65200 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
| Conditions | Yield |
|---|---|
| With hydrogenchloride; iron(III)-acetylacetonate; 1,1,3,3-Tetramethyldisiloxane In tetrahydrofuran; water at 60℃; for 24h; | 99% |
| Stage #1: nitrobenzene With iron(III) acetylacetonate; 1,1,3,3-Tetramethyldisiloxane In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Sealed tube; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether for 0.0833333h; | 99% |
| Stage #1: nitrobenzene With hydrogen In ethanol at 25℃; under 11172.7 Torr; Flow reactor; Stage #2: With hydrogenchloride In ethanol Flow reactor; chemoselective reaction; | 99% |
- 37596-06-8
2-anilino-2-hydroxy-1,3-diphenyl-propane-1,3-dione
A
- 643-75-4
1,3-diphenyl-propane-1,2,3-trione
B
- 142-04-1
aniline hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In dichloromethane; water at 20℃; | A 98% B n/a |
| Conditions | Yield |
|---|---|
| Stage #1: Acetanilid With 2-fluoropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.5h; Stage #2: ethylmagnesium bromide With cerium(III) chloride In tetrahydrofuran; dichloromethane at -78℃; for 2h; Stage #3: With hydrogenchloride In ethyl acetate | A 70% B n/a |
- 2364-50-3
isovaleranilide
- 925-90-6
ethylmagnesium bromide
A
- 623-56-3
5-methyl-3-hexanone
B
- 142-04-1
aniline hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: isovaleranilide With 2-fluoropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.5h; Stage #2: ethylmagnesium bromide With cerium(III) chloride In tetrahydrofuran; dichloromethane at -78℃; for 2h; Stage #3: With hydrogenchloride In ethyl acetate | A n/a B 63% |
| Conditions | Yield |
|---|---|
| With ammonium bromide; ethylenediamine at 80℃; for 5h; Microwave irradiation; | 76% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 20℃; for 1.5h; Cooling with ice; | 100% |
| With hydrogenchloride In acetic acid at 0.5℃; | |
| With hydrogenchloride In isopropyl ether |
- 25815-21-8
2-phenylimino-4,4,5,5-tetramethyl-1,3-dioxolane
- 142-04-1
aniline hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; methanol In diethyl ether at 20℃; for 1.5h; | 96% |
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole; trifluoroacetic acid; palladium In ethanol |
| Conditions | Yield |
|---|---|
| Stage #1: 4-chlorobenzonitrile With hydrogen In ethanol at 25℃; under 7448.5 Torr; Flow reactor; Stage #2: With hydrogenchloride In ethanol Flow reactor; chemoselective reaction; | A 72% B n/a |
- 1195865-07-6
(Z)-7-benzyloxy-3-ethoxymethyl-2-phenylimino-2H-chromene
A
- 1195865-20-3
7-benzyloxy-3-ethoxymethylcoumarin
B
- 142-04-1
aniline hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In tetrahydrofuran at 20℃; Cooling with ice; | A 87% B n/a |
- Total:16 Page 1 of 1 1
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Chemistry
Molecular Structure of BENZENAMINE HYDROCHLORIDE (142-04-1):
EINECS: 205-519-8
IUPAC Name: aniline hydrochloride
Molecular Formula: C6H8ClN
Molecular Weight: 129.587420 g/mol
H-Bond Donor: 2
H-Bond Acceptor: 1
SMILES: C1=CC=C(C=C1)N.Cl
InChI: InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKey: MMCPOSDMTGQNKG-UHFFFAOYSA-N
Flash Point: 70 °C
Boiling Point: 184.4 °C at 760 mmHg
Melting Point: 196-198 °C(lit.)
Enthalpy of Vaporization: 42.44 kJ/mol
Vapour Pressure: 0.733 mmHg at 25 °C
Sensitive: Hygroscopic
Stability: Stable. Incompatible with strong oxidizing agents, strong acids.
BRN: 3593823
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,65. | ||
| 2. | eye-rbt 20 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,65. | ||
| 3. | sce-hmn:lym 50 µmol/L | BLFSBY Basic Life Sciences, 29b ,1984,561. | ||
| 4. | otr-rat:emb 79,500 ng/plate | JJATDK JAT, Journal of Applied Toxicology, 1 (1981),190. | ||
| 5. | sce-ham:fbr 10 µmol/L | JNCIAM Journal of the National Cancer Institute, 58 (1977),1635. | ||
| 6. | orl-rat LD50:840 mg/kg | TXAPA9 Toxicology and Applied Pharmacology, 42 (1977),417. | ||
| 7. | ipr-rat LDLo:500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review, 5 (1953),11. | ||
| 8. | orl-mus LD50:841 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB214-270 . | ||
| 9. | ipr-mus LD50:300 mg/kg | NTIS** National Technical Information Service. |
Consensus Reports
IARC Cancer Review: Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man , 27 (1982),p. 39.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay Completed; Results Positive: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-130 (1978). ; Results Negative: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-130 (1978). . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
The safety information of BENZENAMINE HYDROCHLORIDE (142-04-1):
Hazard Codes: T .gif){kind=small}
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Risk Statements: 23/24/25-40-41-43-48/23/24/25-50-68
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
40: Limited evidence of a carcinogenic effect
41: Risk of serious damage to eyes
43: May cause sensitization by skin contact
48/23/24/25: Toxic: danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed
50: Very Toxic to aquatic organisms
68: Possible risk of irreversible effects
Safety Statements: 26-27-36/37/39-45-61-63
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61: Avoid release to the environment. Refer to special instructions safety data sheet
63: In case of accident by inhalation, remove casualty to fresh air and keep at rest
RIDADR: UN 1548 6.1/PG 3
WGK Germany: 2
RTECS: CY0875000
HazardClass: 6.1
PackingGroup: III
HS Code: 29214100
F: 3-9
Suspected carcinogen with experimental carcinogenic and tumorigenic data. Poison by intraperitoneal route. Moderately toxic by ingestion. Experimental teratogenic effects. Human mutation data reported. A skin and eye irritant. Combustible when exposed to heat or flame. When heated to decomposition or on contact with acid or acid fumes, it emits highly toxic fumes of aniline and chlorine compounds. Reacts explosively with aniline at 240°C/7.6 bar. Can react vigorously with oxidizing materials. To fight fire, use water, CO2, water mist or spray, dry chemical. See also ANILINE.
Standards and Recommendations
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
Specification
BENZENAMINE HYDROCHLORIDE (142-04-1) is an aromatic ammonium salt with the appearance of white - yellow - semi-transparent flakes. It is also called ANILINE HCL ; ANILINE HYDROCHLORIDE ; Anilinechlofide ; ANILINIUM CHLORIDE ; C.I. 76001 ; benzenamine hydrochloride ; anilinechloride ; chlorhydrated’aniline , etc. BENZENAMINE HYDROCHLORIDE (142-04-1) is used in some fields such as fine chemicals, food. It is also used as reagent for analysis of carbohydrates and food. BENZENAMINE HYDROCHLORIDE (142-04-1) can be prepared by the reaction of aniline with hydrochloric acid:
C6H5NH2 + HCl → C6H5N+H3Cl-