Basic information
- CAS
2589-65-3- Standard SMILES
CNC(=O)Oc1ccc(Cl)c(C)c1- InChIKey
CWOGPWIJFSPUMU-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 4-chloro-m-tolyl ester
- IUPAC
- (4-chloro-3-methylphenyl) N-methylcarbamate
- English name
- CARBAMICACID,METHYL-,4-CHLORO-3-TOLYLESTER
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
4-Chloro-m-tolyl methylcarbamateCarbamic acid, methyl-, 4-chloro-m-tolyl esterDRC 3344BRN 18715122589-65-3Carbamic acid, methyl-, 4-chloro-3-methylphenyl esterDTXSID50180543RefChem:332553DTXCID901030344-Chloro-3-methylphenyl methylcarbamateSCHEMBL9390086CHEMBL2288488
Show more names
4-CHLORO-3-METHYLPHENYL N-METHYLCARBAMATECARBAMICACID,METHYL-,4-CHLORO-3-TOLYLESTERPhenol, 4-chloro-3-methyl-, 1-(N-methylcarbamate)
AKOS024340068
Database identifiers
- CAS
2589-65-3- PubChem CID
- 75765
- DTXSID
DTXSID50180543- ChEMBL
CHEMBL2288488- EC Number
- 662-628-7
- Nikkaji
- J1.582.273B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP2.57
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 277.2 · 277.2±40.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 11.84 · 11.84±0.46(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H315-H318-H335-H301
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H317-H315-H318-H335-H301
- Precautionary statements
- P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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