Basic information
- CAS
85817-61-4- Standard SMILES
COc1ccc(C)cc1NC(=O)CCl- InChIKey
ZVVBFKIUBBHWEV-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- 2-Chloro-2'-methoxy-5'-methylacetanilide
- IUPAC
- 2-chloro-N-(2-methoxy-5-methylphenyl)acetamide
- English name
- 2-CHLORO-N-(2-METHOXY-5-METHYLPHENYL)ACETAMIDE
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
2-CHLORO-2'-METHOXY-5'-METHYLACETANILIDERefChem:468542661-132-82-chloro-N-(2-methoxy-5-methylphenyl)acetamide85817-61-4MFCD00095382N1-(2-methoxy-5-methylphenyl)-2-chloroacetamideAcetamide, 2-chloro-N-(2-methoxy-5-methylphenyl)-SCHEMBL10684407DTXSID30353157ZVVBFKIUBBHWEV-UHFFFAOYSA-NALBB-002415
Show more names
AKOS BBS-000038732-chloro-N-(2-methoxy-5-methyl-phenyl)ethanamideN-(Chloroacetyl)-2-methoxy-5-methylaniline, 3-[(Chloroacetyl)amino]-4-methoxytoluene
SBB004518STK205300AKOS000265099JS-2984NCGC00661131-01CS-0218638ST45144318EN300-01585
Database identifiers
- CAS
85817-61-4- PubChem CID
- 736991
- DTXSID
DTXSID30353157- EC Number
- 661-132-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2924190090 · 2924190090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers6 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Syntechem Co.,Ltd[email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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