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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
 

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-N

Smiles

c1ccc2[nH]nnc2c1

Toxicity

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.