CAS No.95-14-7,1H-Benzotriazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	95-14-7
Name:	1H-Benzotriazole
Article Data:	127
Cas Database

Formula:	C₆H₅N₃
Molecular Weight:	119.126
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;
EINECS:	202-394-1
Density:	1.348 g/cm³
Melting Point:	97-99 °C(lit.)
Boiling Point:	276.1 °C at 760 mmHg
Flash Point:	133.9 °C
Solubility:	25 g/l in water
Appearance:	yellow to beige solid
Hazard Symbols:	Xn,Xi,F
Risk Codes:	20/22-36-52/53-5-36/37/38-20/21/22-11
Safety:	26-36/37-61-45-36/37/39-28A
PSA:	41.57000
LogP:	0.95790

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

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

...Expand

: 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

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

...Expand

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

A: 95-14-7
1,2,3-Benzotriazole

B: 4714-21-0, 130059-91-5, 130059-95-9, 1657-45-0, 1860-17-9
E-1-methyl-4-styryl-benzene

Conditions

Conditions	Yield
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

Conditions	Yield
With sulfuric acid; sodium nitrite In methanol	99.9%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Raw Materials

101-54-2

106-48-9

Downstream Products

613-33-2

100-74-3

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Chemistry

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

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.

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.

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.

Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi,F
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.

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.