Basic information
- CAS
76354-12-6- Standard SMILES
CSCc1cccc(Br)c1- InChIKey
IAYANMBFMSHEHV-UHFFFAOYSA-N- Molecular formula
- C8H9BrS
- Average molar mass
- 217.13 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-3-[(methylsulfanyl)methyl]benzene
- IUPAC
- 1-bromo-3-(methylsulfanylmethyl)benzene
- English name
- 1-Bromo-3-[(Methylsulfanyl)Methyl]Benzene(WX633087)
- Molecular formula
- C8H9BrS
- Molecular weight
- 217.13
Names & synonyms
76354-12-61-bromo-3-[(methylsulfanyl)methyl]benzene3-bromobenzyl methyl sulfide1-bromo-3-(methylsulfanylmethyl)benzeneMFCD14644218Benzene, 1-bromo-3-[(methylthio)methyl]-(3-Bromobenzyl)(methyl)sulfaneSCHEMBL514683SCHEMBL514684SCHEMBL14784768SCHEMBL30515517IAYANMBFMSHEHV-UHFFFAOYSA-N
Show more names
1-Bromo-3-[(Methylsulfanyl)Methyl]Benzene(WX633087)
BDA354121-Bromo-3-methylsulfanylmethylbenzene1-bromo-3-methylsulfanylmethyl-benzeneAKOS0089030051-Bromo-3-((methylthio)methyl)benzeneAS-64697SY145848CS-0037537
Database identifiers
- CAS
76354-12-6- PubChem CID
- 12587516
- EC Number
- 182-910-9
- Nikkaji
- J1.105.456K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- form
- solid
- InChI
- 1S/C8H9BrS/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3
- InChIKey
- IAYANMBFMSHEHV-UHFFFAOYSA-N
- SMILES
- BrC1=CC=CC(CSC)=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P264, P270, P301+P317, P330, 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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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