Methyl 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylate
Basic information
- CAS
350997-10-3- Standard SMILES
COC(=O)c1c(-c2ccc(Cl)cc2)csc1N- InChIKey
MMDGBRSRVRPRMY-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2S
- Average molar mass
- 267.73 g/mol
- Monoisotopic mass
- 267.0120774
Names & identifiers
- Preferred name
- Methyl 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylate
- IUPAC
- methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
- English name
- 2-Amino-4-(4-chloro-phenyl)-thiophene-3-carboxylic acid methyl ester
- Molecular formula
- C12H10ClNO2S
- Molecular weight
- 267.73
Names & synonyms
methyl 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylateRefChem:814002methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate350997-10-3MFCD019215762-amino-4-(4-chloro-phenyl)-thiophene-3-carboxylic acid methyl ester2-amino-4-(4-chlorophenyl)-thiophene-3-carboxylic acid methyl esterMMDGBRSRVRPRMY-UHFFFAOYSA-NCBMicro_034137SCHEMBL3932115DTXSID40353986ALBB-001674
Show more names
AKOS B000763ZINC00229377A3001/0126414AK-968/13031270CHEMBRDG-BB 3000763ART-CHEM-BB B000763
BBL016143SBB019623STK348726AKOS000220678VS-05167BIM-0033990.P001ST4082251VU0549366-1
Database identifiers
- CAS
350997-10-3- PubChem CID
- 760871
- DTXSID
DTXSID40353986- EC Number
- 672-050-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 405 · 405.0±45.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- -0.3 · -0.30±0.14(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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