Basic information
- CAS
89499-44-5- Standard SMILES
COC(=O)c1cc(N)c(Cl)s1- InChIKey
RUAIJHHRCIHFEV-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2S
- Average molar mass
- 191.64 g/mol
- Monoisotopic mass
- 190.98077711
Names & identifiers
- Preferred name
- Methyl 4-amino-5-chlorothiophene-2-carboxylate
- IUPAC
- methyl 4-amino-5-chlorothiophene-2-carboxylate
- English name
- 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
- Molecular formula
- C6H6ClNO2S
- Molecular weight
- 191.64
Names & synonyms
methyl 4-amino-5-chlorothiophene-2-carboxylate89499-44-54-Amino-5-chlorothiophene-2-carboxylic acid methyl esterMFCD00508459ChemDiv3_000798SCHEMBL5467194DTXSID60354354HMS1475E06methyl 4-amino-5-chloro-thiophene-2-carboxylateAKOS001600711DS-02212-Thiophenecarboxylic acid, 4-amino-5-chloro-, methyl ester
Show more names
methyl 4-amino-5-chloro-thiophene-2-carboxylate - [M87797]4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester ,97%4-AMINO-5-CHLOROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 95+%
BRILLIANTGREENFS-31SBB091349FS-3170IDI1_019764SY064518DB-001763CS-0042864
Database identifiers
- CAS
89499-44-5- PubChem CID
- 770013
- DTXSID
DTXSID60354354
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 351.8 · 351.8±37.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.17 · 1.17±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers36 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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