3-(Bromomethyl)-1-benzothiophene

HCID 11264641
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Basic information

CAS
1196-19-6
Standard SMILES
BrCc1csc2ccccc12
InChIKey
WYKHJZSILIVQKU-UHFFFAOYSA-N
Molecular formula
C9H7BrS
Average molar mass
227.12 g/mol

Names & identifiers

Preferred name
3-(Bromomethyl)-1-benzothiophene
IUPAC
3-(bromomethyl)-1-benzothiophene
English name
3-(Bromomethyl)benzo[b]thiophene
Molecular formula
C9H7BrS
Molecular weight
227.12

Names & synonyms

1196-19-63-(bromomethyl)-1-benzothiopheneRefChem:494368831-411-03-(Bromomethyl)benzo[b]thiophene3-(bromomethyl)benzothiopheneMFCD00098683Benzo[b]thiophene, 3-(bromomethyl)-3-bromomethylbenzo[b]thiopheneSCHEMBL2792315SCHEMBL30003342WYKHJZSILIVQKU-UHFFFAOYSA-N
Show more names
AKOS010152474CS-10359DA-14664SY105192EN300-50577F364376

Database identifiers

CAS
1196-19-6
PubChem CID
11264641
EC Number
831-411-0

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
311.3 · 311.3±17.0 °C(Predicted)
Density
1.593 · 1.593±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
form
solid
InChI
1S/C9H7BrS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKey
WYKHJZSILIVQKU-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2934208090
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302
Hazard Classifications
Acute Tox. 4 Oral

Chemistry & industry

Upstream & downstream products

Suppliers29 total

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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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