1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
Basic information
- CAS
70380-30-2- Standard SMILES
BrCc1cn(Cc2ccccc2)nn1- InChIKey
MAHBEDRCUGQEHK-UHFFFAOYSA-N- Molecular formula
- C10H10BrN3
- Average molar mass
- 252.11 g/mol
- Monoisotopic mass
- 251.00581
Names & identifiers
- Preferred name
- 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
- IUPAC
- 1-benzyl-4-(bromomethyl)triazole
- English name
- 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
- Molecular formula
- C10H10BrN3
- Molecular weight
- 252.11
Names & synonyms
1-benzyl-4-(bromomethyl)-1H-1,2,3-triazoleRefChem:429913856-690-670380-30-21-benzyl-4-(bromomethyl)triazoleNSC283148SCHEMBL25024511-benzyl-4-bromomethyl triazoleCHEMBL32294681H-1,2,3-Triazole, 4-(bromomethyl)-1-(phenylmethyl)-DTXSID30314425MAHBEDRCUGQEHK-UHFFFAOYSA-N
Show more names
VCA38030MFCD16748351AKOS011680941NSC-283148EN300-142083G696804-(bromomethyl)-1-(phenylmethyl)-1H-1,2,3-triazole
Database identifiers
- CAS
70380-30-2- PubChem CID
- 323376
- DTXSID
DTXSID30314425- ChEMBL
CHEMBL3229468- EC Number
- 856-690-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 389.2 · 389.2±44.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -0.02 · -0.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H302-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-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-H318-H302-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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