1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)

Modify Date: 2025-11-27 18:58:04

1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI) Structure
1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI) structure
Common Name 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)
CAS Number 88474-32-2 Molecular Weight 128.52000
Density 1.68g/cm3 Boiling Point 384.7ºC at 760 mmHg
Molecular Formula C3HClN4 Melting Point N/A
MSDS N/A Flash Point 186.4ºC

 Names

Name 5-chloro-2H-triazole-4-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.68g/cm3
Boiling Point 384.7ºC at 760 mmHg
Molecular Formula C3HClN4
Molecular Weight 128.52000
Flash Point 186.4ºC
Exact Mass 127.98900
PSA 65.36000
LogP 0.32978
Index of Refraction 1.586
InChIKey FXURSNQKZJOZMH-UHFFFAOYSA-N
SMILES N#Cc1n[nH]nc1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4177000
CHEMICAL NAME :
1H-1,2,3-Triazole-4-carbonitrile, 5-chloro-
CAS REGISTRY NUMBER :
88474-32-2
LAST UPDATED :
198909
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C3-H-Cl-N4
MOLECULAR WEIGHT :
128.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 20,749,1986

 Safety Information

HS Code 2933990090

 Synthetic Route

~96%

1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI) Structure

1H-1,2,3-Triazo...

CAS#:88474-32-2

Literature: Nemeryuk, M. P.; Sedov, A. L.; Krepelka, I.; Benes, Ya.; Safonova, T. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , p. 1113 - 1115 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 10 p. 1398 - 1400

~95%

1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI) Structure

1H-1,2,3-Triazo...

CAS#:88474-32-2

Literature: Nemeryuk, M. P.; Sedov, A. L.; Krepelka, I.; Benes, Ya.; Safonova, T. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , p. 1113 - 1115 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 10 p. 1398 - 1400

~53%

1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI) Structure

1H-1,2,3-Triazo...

CAS#:88474-32-2

Literature: Nemeryuk, M. P.; Sedov, A. L.; Ryabokon, N. A.; Ershova, Yu. A.; Sokolova, A. S.; et al. Pharmaceutical Chemistry Journal, 1990 , vol. 24, # 6 p. 406 - 410 Khimiko-Farmatsevticheskii Zhurnal, 1990 , vol. 24, # 6 p. 23 - 25

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-cyano-5-chloro-1,2,3-triazole
1H-1,2,3-Triazole-4-carbonitrile,5-chloro
4-chloro-5-cyano-1,2,3-triazole
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