Basic information
- CAS
66047-05-0- Standard SMILES
CC(=O)Nc1ccc(CBr)cc1- InChIKey
JGMURBFZECPJFF-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO
- Average molar mass
- 228.09 g/mol
- Monoisotopic mass
- 226.99458
Names & identifiers
- Preferred name
- Acetamide, N-(4-(bromomethyl)phenyl)-
- IUPAC
- N-[4-(bromomethyl)phenyl]acetamide
- English name
- N-(4-BroMoMethylphenyl)acetaMide
- Molecular formula
- C9H10BrNO
- Molecular weight
- 228.09
Names & synonyms
66047-05-0N-[4-(bromomethyl)phenyl]acetamideAcetamide, N-(4-(bromomethyl)phenyl)-N-(4-(Bromomethyl)phenyl)acetamideDTXSID10216251Acetamide, N-[4-(bromomethyl)phenyl]-RefChem:551720DTXCID10138742865-051-0N-(4-Bromomethylphenyl)acetamidep-acetamidobenzyl bromide4-acetylaminobenzyl bromide
Show more names
SCHEMBL11641546RCA04705AKOS023762114DB-172649EN300-1894860
Database identifiers
- CAS
66047-05-0- PubChem CID
- 149290
- DTXSID
DTXSID10216251- EC Number
- 865-051-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 163 · 163-165 °C
- Boiling point
- 379.7 · 379.7±25.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- pka
- 14.75 · 14.75±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H314
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-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]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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-H302-H314
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers3 total
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
Related reactions
2 records
Compound notes
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