Basic information
- CAS
19020-05-4- Standard SMILES
COc1ccc(CNc2cccc(Cl)c2)cc1OC- InChIKey
VKEREXRSVOKRAK-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO2
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.0869564
Names & identifiers
- Preferred name
- N-(3-Chlorophenyl)veratrylamine
- IUPAC
- 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline
- English name
- N-(3-Chlorophenyl)veratrylamine
- Molecular formula
- C15H16ClNO2
- Molecular weight
- 277.75
Names & synonyms
N-(3-CHLOROPHENYL)VERATRYLAMINEN-[3-Chlorophenyl]veratrylamineRefChem:82649019020-05-4633-676-6VKEREXRSVOKRAK-UHFFFAOYSA-NAKOS0002352103-Chloro-N-(3,4-dimethoxybenzyl)aniline #Benzenemethanamine, N-(3-chlorophenyl)-3,4-dimethoxy-
Database identifiers
- CAS
19020-05-4- PubChem CID
- 592111
- EC Number
- 633-676-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- Boiling point
- 408.8 · 408.8±35.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 2.83 · 2.83±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 410 · H410-H318-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310
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]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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,GHS09,GHS05
- Hazard statements
- H410-H318-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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