Basic information
- CAS
39827-11-7- Standard SMILES
O=C(Cl)c1cc2ccccc2s1- InChIKey
DNGLRCHMGDDHNC-UHFFFAOYSA-N- Molecular formula
- C9H5ClOS
- Average molar mass
- 196.65 g/mol
- Monoisotopic mass
- 195.97496346
Names & identifiers
- Preferred name
- Benzo[b]thiophene-2-carbonyl Chloride
- IUPAC
- 1-benzothiophene-2-carbonyl chloride
- English name
- Benzo[b]thiophene-2-carbonyl chloride
- Molecular formula
- C9H5ClOS
- Molecular weight
- 196.65
Names & synonyms
Benzo[b]thiophene-2-carbonyl chlorideThianaphthene-2-carbonyl chlorideBenzo(b)thiophene-2-carbonyl chlorideDTXSID80192891RefChem:326199DTXCID20115382679-311-4DNGLRCHMGDDHNC-UHFFFAOYSA-N39827-11-71-Benzothiophene-2-carbonyl chloridebenzo[b]thiophene-2-carbonylchlorideMFCD00051635
Show more names
SKL1204AKOS 92494BUTTPARK 98\04-18Benzothiophene-2-Carbonyl ChlorideBenzobüthiophene-2-carbonyl chloride, 98%Benzo[b]thiophene-2-carbonyl Chloride >Benzo[b]thiophene-2-carbonyl chloride ,98%
SCHEMBL1035292-benzothiophenecarbonyl chloride2-benzo[b]thiophenecarbonyl chloridebenzothiophene-2-carboxylic acid chlorideBP-10051B4637benzo[b]tbenzo[b]thiophene-2-carboxylic acid chloride
Database identifiers
- CAS
39827-11-7- PubChem CID
- 142384
- DTXSID
DTXSID80192891- EC Number
- 679-311-4
- Nikkaji
- J89.312I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 85 · 85-86°C
- Boiling point
- 176 °C/17mmHg · 176°C/17mmHg(lit.)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Orange to Green
- Sensitive
- Moisture Sensitive
- BRN
- 125174 · 125174
- CAS DataBase Reference
- 39827 · 39827-11-7(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36
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
H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (20%)
Safety data
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
53 records
Compound notes
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