Basic information
- CAS
114370-76-2- Standard SMILES
ClCc1ncnn1-c1ccccc1- InChIKey
DPCODPMVVLMMLR-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.040675
Names & identifiers
- Preferred name
- 5-(chloromethyl)-1-phenyl-1H-1,2,4-triazole
- IUPAC
- 5-(chloromethyl)-1-phenyl-1,2,4-triazole
- English name
- 5-(chloromethyl)-1-phenyl-1H-1,2,4-triazole
- Molecular formula
- C9H8ClN3
- Molecular weight
- 193.63
Names & synonyms
5-(Chloromethyl)-1-phenyl-1H-1,2,4-triazole114370-76-2RefChem:530939867-562-45-(chloromethyl)-1-phenyl-1,2,4-triazole3-Chlormethyl-2-phenyl-1.2.4.triazolDPCODPMVVLMMLR-UHFFFAOYSA-NPEA37076AKOS0267430703-Chloromethyl-2-phenyl-1.2.4-triazoleEN300-1949805-(Chloromethyl)-1-phenyl-1H-1,2,4-triazole #
Show more names
1H-1,2,4-Triazole, 5-(chloromethyl)-1-phenyl-
Database identifiers
- CAS
114370-76-2- PubChem CID
- 563232
- EC Number
- 867-562-4
- Nikkaji
- J491.202K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 351.4 · 351.4±44.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 1.43 · 1.43±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H302-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H302-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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