Basic information
- CAS
13134-76-4- Standard SMILES
COC(=O)c1sc2ccccc2c1O- InChIKey
KNSQDHMBDAMMNO-UHFFFAOYSA-N- Molecular formula
- C10H8O3S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.01941529
Names & identifiers
- Preferred name
- Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate
- IUPAC
- methyl 3-hydroxy-1-benzothiophene-2-carboxylate
- English name
- METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE
- Molecular formula
- C10H8O3S
- Molecular weight
- 208.23
Names & synonyms
Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate13134-76-4EINECS 236-066-4Methyl 3-hydroxybenzo(b)thiophene-3-carboxylateDTXSID60157009Methyl 3-hydroxybenzo(b)thiophene-2-carboxylateMethyl 3-hydroxybenzo[b]thiophene-3-carboxylateRefChem:815508DTXCID0079500236-066-4Methyl 3-hydroxy-1-benzothiophene-2-carboxylateMFCD00067732
Show more names
Methy 3-hydroxybenzothiophene-2-carboxylateMethyl 3-hydroxybenzo[b]thiophen-2-carboxylate3-Hydroxybenzo[b]thiophene-2-carboxylic acid methyl ester
Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-, methyl estermethyl 3-hydroxybenzothiophene-2-carboxylate3-hydroxy-benzo[b]thiophene-2-carboxylic acid methyl esterBenzo[b]thiophene-2-carboxylicacid, 3-hydroxy-, methyl esterMaybridge4_000295Oprea1_7734972-[hydroxy(methoxy)methylidene]-1-benzothiophen-3-oneorb3030938
Database identifiers
- CAS
13134-76-4- PubChem CID
- 83165
- DTXSID
DTXSID60157009- ChEMBL
CHEMBL2057737- EC Number
- 236-066-4
- Nikkaji
- J317.825K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 106 · 106-108°C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Off-white to pink Solid
- CAS DataBase Reference
- 13134 · 13134-76-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
苏州克拉斯生物科技有限公司18616764616 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
Loading…