Basic information
- CAS
5604-31-9- Standard SMILES
Clc1ccc(-c2cn[nH]n2)cc1- InChIKey
CGWXLIIVSXHAOP-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0250249
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-1H-1,2,3-triazole
- IUPAC
- 4-(4-chlorophenyl)-2H-triazole
- English name
- 4-(4-Chlorophenyl)-1H-1,2,3-triazole
- Molecular formula
- C8H6ClN3
- Molecular weight
- 179.61
Names & synonyms
4-(4-Chlorophenyl)-1H-1,2,3-triazole5604-31-9RefChem:514078890-303-14-(4-chlorophenyl)-2H-triazole5-(4-chlorophenyl)-1H-1,2,3-triazole1H-1,2,3-Triazole, 4-(4-chlorophenyl)-v-Triazole, 4-(p-chlorophenyl)-4-chlorophenyl triazole4-(4-CHLOROPHENYL)-2H-1,2,3-TRIAZOLECHEMBL196516SCHEMBL4704565
Show more names
1H-1,2,3-Triazole, 5-(4-chlorophenyl)-
SCHEMBL5020149SCHEMBL5612785SCHEMBL15986341SCHEMBL27941355SCHEMBL29626826BDBM17459CGWXLIIVSXHAOP-UHFFFAOYSA-NMFCD06251910
Database identifiers
- CAS
5604-31-9- PubChem CID
- 601577
- ChEMBL
CHEMBL196516- EC Number
- 890-303-1
- Nikkaji
- J145.534F、J291.545F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
LogP2.97
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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