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Substance Name: 1,2,3-Benzotriazole
RN: 95-14-7
UNII: 86110UXM5Y
InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
Note
- Inhibitor of atmospheric metal corrosion; also component of motion picture film & "Neva" brake fluid.
Molecular Formula
- C6-H5-N3
Molecular Weight
- 119.1265
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Agricultural Chemical
- Experimental Pesticide
- Mutation Data
- TSCA Flag TP (Subject to the Proposed TSCA Section 4 Test Rule)
- Tumor Data
- Unspecified / Unclassified Pesticide
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Names and Synonyms
Name of Substance
- 1,2,3-Benzotriazole
- 1H-Benzotriazole
- Benzotriazole
Synonyms
- 1,2,-Aminozophenylene
- 1,2,3-Benzotriazole
- 1,2,3-Triaza-1H-indene
- 1,2,3-Triazaindene
- 1,2-Aminoazophenylene
- 1H-1,2,3-Benzotriazole
- 1H-Benzotriazole
- 2,3-Diazaindole
- 4-26-00-00093 (Beilstein Handbook Reference)
- AI3-15984
- Azimidobenzene
- Aziminobenzene
- Benzene azimide
- Benzisotriazole
- Benzotriazole
- Benzotriazole (VAN)
- Benztriazole
- BRN 0112133
- CCRIS 78
- Cobratec #99
- EC 202-394-1
- EINECS 202-394-1
- HSDB 4143
- NCI-C03521
- NSC-3058
- U-6233
- UNII-86110UXM5Y
Systematic Names
- 1H-Benzotriazole
- Benzotriazole
Superlist Names
- 1,2,3-Benzotriazole
- 1H-Benzotriazole
Registry Numbers
CAS Registry Number
- 95-14-7
FDA UNII
- 86110UXM5Y
Other Registry Numbers
- 115773-98-3
- 116421-31-9
- 1334724-96-7
- 152206-50-3
- 197463-08-4
- 25377-81-5
- 27556-51-0
- 28880-01-5
- 70644-74-5
- 83202-91-9
- 94160-69-7
System Generated Number
- 0000095147
Structure Descriptors
InChI
InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)InChIKey
QRUDEWIWKLJBPS-UHFFFAOYSA-NSmiles
c1ccc2[nH]nnc2c1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC 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. | |
| mouse | LD50 | intravenous | 238mg/kg (238mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952. | |
| 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: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI | 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, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 100 | deg C | EXP | |
| Boiling Point | 350 | deg C | EXP | |
| pKa Dissociation Constant | 8.37 | (none) | 20 | EXP |
| log P (octanol-water) | 1.44 | (none) | EXP | |
| Water Solubility | 1.98E+04 | mg/L | 25 | EXP |
| Atmospheric OH Rate Constant | 1.00E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.