Basic information
- CAS
70289-13-3- Standard SMILES
O=C(CCl)NCc1ccccc1Cl- InChIKey
VBEJPDDXBGNGEA-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO
- Average molar mass
- 218.08 g/mol
- Monoisotopic mass
- 217.0061193
Names & identifiers
- Preferred name
- 2-chloro-N-[(2-chlorophenyl)methyl]acetamide
- IUPAC
- 2-chloro-N-[(2-chlorophenyl)methyl]acetamide
- English name
- Acetamide, 2-chloro-N-(o-chlorobenzyl)-,
- Molecular formula
- C9H9Cl2NO
- Molecular weight
- 218.08
Names & synonyms
2-chloro-N-[(2-chlorophenyl)methyl]acetamide2-Chloro-N-((2-chlorophenyl)methyl)acetamideRefChem:469856898-835-670289-13-32-chloro-N-(2-chlorobenzyl)acetamideAcetamide, 2-chloro-N-(o-chlorobenzyl)-,Acetamide, 2-chloro-N-(o-chlorobenzyl)-MFCD00018914Acetamide, 2-chloro-N-[(2-chlorophenyl)methyl]-SCHEMBL8740727CHEMBL5428712
Show more names
ZINC021621352-Chloro-N-(2-chloro-benzyl)-acetamide2-chloro-N-[(2-chlorophenyl)methyl]ethanamide
DTXSID40220528ALBB-019145SBB037897STK499015AKOS000283582GR-0044NCGC00661860-01ST082752
Database identifiers
- CAS
70289-13-3- PubChem CID
- 144398
- DTXSID
DTXSID40220528- ChEMBL
CHEMBL5428712- EC Number
- 898-835-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- form
- solid
- InChI
- 1S/C9H9Cl2NO/c10-5-9(13)12-6-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H,12,13)
- InChIKey
- VBEJPDDXBGNGEA-UHFFFAOYSA-N
- SMILES
- ClCC(NCC1=C(Cl)C=CC=C1)=O
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
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
- wgk
- WGK 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers3 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…