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1H-Benzotriazole

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Name

1H-Benzotriazole

EINECS 202-394-1
CAS No. 95-14-7 Density 1.348 g/cm3
PSA 41.57000 LogP 0.95790
Solubility 25 g/l in water Melting Point 97-99 °C(lit.)
Formula C6H5N3 Boiling Point 276.1 °C at 760 mmHg
Molecular Weight 119.126 Flash Point 133.9 °C
Transport Information N/A Appearance yellow to beige solid
Safety 26-36/37-61-45-36/37/39-28A Risk Codes 20/22-36-52/53-5-36/37/38-20/21/22-11
Molecular Structure Molecular Structure of 95-14-7 (1H-Benzotriazole) Hazard Symbols HarmfulXn,IrritantXi,FlammableF
Synonyms

M 318;NSC 3058;RusminR;Seetec BT;Seetec BT-R;Verzone Crystal;Benzotriazole;1,2,3-Benzotriazole (BTA);1,2,3-1H-Benzotriazole;1,2,3-Benzotriazole;1,2,3-Triaza-1H-indene;1,2,3-Triazaindene;1,2-Aminoazophenylene;1H-1,2,3-Benzotriazole;2,3-Diazaindole;Azimidobenzene;Aziminobenzene;BLS 1326;BT 120 (lubricant additive);BTA;Benzeneazimide;C.V.I. Liquid;CVI;Cobratec 35G;Cobratec 99;D32-108;Entek;HY 2;ISK 3;Irgastab I 489;Kemitec TT;

Article Data 127

1H-Benzotriazole Synthetic route

110-91-8

morpholine

di(1,2,3-benzotriazol-1-yl) sulfide

A

95-14-7

1,2,3-Benzotriazole

B

5038-11-9

N,N'-thiodimorpholine

Conditions
ConditionsYield
In 1,2-dichloro-ethane at 20 - 25℃; for 2h;A 100%
B 93%
3886-69-9

(R)-1-phenyl-ethyl-amine

183266-61-7

1-(trifluoroacetyl)benzotriazole

A

95-14-7

1,2,3-Benzotriazole

B

2354-91-8, 28332-81-2, 39995-50-1, 39995-51-2

N-<(R)-(+)-α-phenylethyl>-2,2,2-trifluoroacetamide

Conditions
ConditionsYield
In tetrahydrofuran for 4h; Ambient temperature;A n/a
B 100%

<2-(benzotriazol-1-yl)-2-phenyl-1-(4-tolyl)>ethyl allyl ether

A

95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With sodium naphthalenide In tetrahydrofuran for 25h; Heating;A 100%
B 71%
95-54-5

1,2-diamino-benzene

95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In methanol99.9%
With K10 Montmorillonite Clay; sodium nitrite In neat (no solvent, solid phase) at 110℃; for 1h; Catalytic behavior; Solvent; Temperature; Time; Microwave irradiation; Green chemistry;99%
With sodium nitrite In water at 260℃; for 3h; Autoclave; Inert atmosphere; Large scale;98.4%
117067-51-3

N-(1-Benzotriazol-1-yl-2-methyl-propyl)-thiobenzamide

A

95-14-7

1,2,3-Benzotriazole

B

19090-58-5

N-isobutylthiobenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 99%
117067-50-2

N-(1-Benzotriazol-1-yl-nonyl)-benzamide

A

95-14-7

1,2,3-Benzotriazole

B

119020-89-2

N-nonylbenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 99%
130384-98-4

tert-butyl 1H-benzo[d][1,2,3]triazole-1-carboxylate

95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With water at 100℃; for 0.0833333h;99%
119020-88-1

N-(1-benzotriazol-1-yl-1-phenylmethyl)acetamide

A

95-14-7

1,2,3-Benzotriazole

B

588-46-5

N-(phenylmethyl)acetamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 98%
117067-55-7

N-(benzotriazol-1-ylmethyl)thiobenzoamide

A

95-14-7

1,2,3-Benzotriazole

B

5310-14-5

N-methylthiobenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 98%
117759-81-6

N-<α-(benzotriazol-1-yl)nonyl>thiobenzamide

A

95-14-7

1,2,3-Benzotriazole

B

117759-91-8

N-Nonyl-thiobenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 97%

1H-Benzotriazole Chemical Properties

Empirical Formula: C6H5N3
Molecular Weight: 119.124
Nominal Mass: 119 Da
Average Mass: 119.124 Da
Monoisotopic Mass: 119.048347 Da 
EINECS: 202-394-1 
Index of Refraction: 1.715
Molar Refractivity: 34.71 cm3
Molar Volume: 88.3 cm3
Surface Tension: 73.9 dyne/cm
Density: 1.348 g/cm3
Flash Point: 133.9 °C
Enthalpy of Vaporization: 51.46 kJ/mol
Boiling Point: 276.1 °C at 760 mmHg
Vapour Pressure: 0.00491 mmHg at 25 °C
Melting point: 97-99 °C(lit.)
Water solubility: 025 g/l in water (20 °C)
Appearance: White to light tan crystals or white powder
Structure of 1H-Benzotriazole (CAS NO.95-14-7):
                       
IUPAC Name: 2H-Benzotriazole
Canonical SMILES: C1=CC2=NNN=C2C=C1
InChI: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
Product Category of 1H-Benzotriazole (CAS NO.620-17-7): Industrial/Fine Chemicals;Heterocyclic Compounds;Imidaxoles;Copper corrosion inhibitor;Organic Chemicals

1H-Benzotriazole History

It is produced by reaction of o-phenylenediamine, sodium nitrite and acetic acid. The conversion proceeds via diazotization of one of the amine groups.

1H-Benzotriazole Uses

 1H-Benzotriazole (CAS NO.95-14-7) is used as a corrosion inhibitor, an aircraft deicer and anti-icer fluid as well as for silver protection in dishwashing detergents.

1H-Benzotriazole Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 500mg/kg (500mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(11), Pg. 70, 1981.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Farmakologiya i Toksikologiya Vol. 41, Pg. 708, 1978.
Link to PubMed
mouse LD50 intravenous 238mg/kg (238mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
Link to PubMed
mouse LD50 oral 615mg/kg (615mg/kg)   National Technical Information Service. Vol. AD-A067-313,
rabbit LDLo skin 450mg/kg (450mg/kg)   National Technical Information Service. Vol. OTS0520182,
rat LC50 inhalation 1910mg/m3/3H (1910mg/m3) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0520637,
rat LD50 oral 560mg/kg (560mg/kg)   National Technical Information Service. Vol. OTS0516797,
rat LD50 skin > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0516745,

  1H-Benzotriazole (CAS NO.95-14-7) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.

1H-Benzotriazole Safety Profile

Hazard Codes: HarmfulXn,IrritantXi,FlammableF
Risk Statements: 20/22-36-52/53-5-36/37/38-20/21/22-11
R11:Highly flammable. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R20/22:Harmful by inhalation and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R36:Irritating to eyes. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36/37-61-45-36/37/39-28A 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37:Wear suitable protective clothing and gloves. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

1H-Benzotriazole Specification

 1H-Benzotriazole , its cas register number is 95-14-7. It also can be called 1,2,3-Benzotriazole ; Benzotriazole ; 1,2,-Aminozophenylene ; and Azimidobenzene . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, 1H-Benzotriazole (CAS NO.95-14-7) is light sensitive. Dusts may form an explosion hazard. It is not compatible with strong oxidizing agents, heavy metals, and you must not take it with incompatible materials, light, ignition sources, heat. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, carbon dioxide.

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