Basic information
- CAS
320407-91-8- Standard SMILES
COc1ccc(CBr)cc1C#N- InChIKey
VRUNGNUGLFXRSB-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO
- Average molar mass
- 226.07 g/mol
- Monoisotopic mass
- 224.97892598
Names & identifiers
- Preferred name
- 5-(Bromomethyl)-2-methoxybenzonitrile
- IUPAC
- 5-(bromomethyl)-2-methoxybenzonitrile
- English name
- 5-(bromomethyl)-2-methoxyBenzonitrile
- Molecular formula
- C9H8BrNO
- Molecular weight
- 226.07
Names & synonyms
5-(bromomethyl)-2-methoxybenzonitrile320407-91-8DTXSID50624179RefChem:300268DTXCID00574933829-708-53-cyano-4-methoxybenzyl bromideSCHEMBL379202SCHEMBL29413275VRUNGNUGLFXRSB-UHFFFAOYSA-NVMA40791AKOS014676127
Show more names
BENZONITRILE, 5-(BROMOMETHYL)-2-METHOXY-
DA-06922EN300-119343
Database identifiers
- CAS
320407-91-8- PubChem CID
- 22273674
- DTXSID
DTXSID50624179- EC Number
- 829-708-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 330.9 · 330.9±27.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H302-H312-H318-H332
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H302-H312-H318-H332
- Precautionary statements
- P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers3 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
2 records
Compound notes
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