3-(Chloromethyl)benzo(b)thiophene

HCID 76680CAS 3216-47-5
Substructure searchFind similar structures

Basic information

Standard SMILES
ClCc1csc2ccccc12
InChIKey
JIXGRXJTSCZWNB-UHFFFAOYSA-N
Molecular formula
C9H7ClS
Average molar mass
182.67 g/mol
Monoisotopic mass
181.9956989

Names & identifiers

Preferred name
3-(Chloromethyl)benzo(b)thiophene
IUPAC
3-(chloromethyl)-1-benzothiophene
English name
2-Chloro-3-methylbenzo(b)thiophene
Molecular formula
C9H7ClS
Molecular weight
182.67

Names & synonyms

3-(Chloromethyl)benzo[b]thiophene3-(chloromethyl)-1-benzothiophene3216-47-53-(Chloromethyl)benzo(b)thiophene48GAW2Q2G8DTXSID80185945EINECS 221-732-9BENZO(B)THIOPHENE, 3-(CHLOROMETHYL)-RefChem:92589DTXCID20108436221-732-93-Chloromethyl-benzo[b]thiophene
Show more names
2-Chloro-3-methylbenzo(b)thiopheneBenzo[b]thiophene, 3-(chloromethyl)-
3-chloromethylbenzo[b]thiopheneUNII-48GAW2Q2G83-(chloromethyl)benzothiopheneSCHEMBL2537423SCHEMBL31363563-chlorome-thylbenzo[b]thiophene3-(chloromethyl)-benzo[b]thiopheneAKOS005216592

Database identifiers

CAS
3216-47-5
PubChem CID
76680
DTXSID
DTXSID80185945
UNII
48GAW2Q2G8
EC Number
221-732-9
Nikkaji
J262.319F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
40 °C · 40 °C
Boiling point
129 · 129-131 °C(Press: 5.0 Torr)
Density
1.298 · 1.298±0.06 g/cm3(Predicted)
FDA UNII
48 GAW2Q2G8 · 48GAW2Q2G8

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers17 total

杭州品高化工有限公司0571-87658025 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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