Completing data — refresh the page later to see the latest
Basic information
- CAS
33951-33-6- Standard SMILES
CS(=O)(=O)c1ccccc1Br- InChIKey
KEBPSJRKAZKUKP-UHFFFAOYSA-N- Molecular formula
- C7H7BrO2S
- Average molar mass
- 235.1 g/mol
- Monoisotopic mass
- 233.93501
Names & identifiers
- Preferred name
- Benzene, 1-bromo-2-(methylsulfonyl)-
- IUPAC
- 1-bromo-2-methylsulfonylbenzene
- English name
- 1-Bromo-2-(methylsulfonyl)benzene
- Molecular formula
- C7H7BrO2S
- Molecular weight
- 235.1
Names & synonyms
2-Bromophenyl methyl sulfone33951-33-6Benzene, 1-bromo-2-(methylsulfonyl)-DTXSID20187569RefChem:562406DTXCID30110060626-268-41-Bromo-2-(methylsulfonyl)benzene1-bromo-2-methanesulfonylbenzene1-bromo-2-methylsulfonylbenzeneMFCD073689242-Bromophenylmethylsulfone
Show more names
o-Bromophenyl methyl sulfoneo-Bromo(methylsulfonyl)benzene2-Bromophenylmethylsulphone98%2-BroMophenyl Methyl sulfone 97%2-Bromophenyl methyl sulphone 98%2-BroMophenyl Methyl Sulfone, 97+%1-Bromo-2-(methylsulphonyl)benzene
2-Bromophenyl methyl sulphoneBenzene, bromo(methylsulfonyl)-2-bromo(methylsulfonyl)benzene1-bromo-2-methylsulfonyl-benzeneo-methylsulfonylbromobenzeneSCHEMBL1542687SCHEMBL11567025SCHEMBL11567026
Database identifiers
- CAS
33951-33-6- PubChem CID
- 190318
- DTXSID
DTXSID20187569- EC Number
- 626-268-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 106 · 106-110 °C
- Boiling point
- 361.6 · 361.6±34.0 °C(Predicted)
- Density
- 1.595 · 1.595
- storage temp.
- Sealed in dry,Room Temperature
- form
- crystalline solid
- color
- White
- InChI
- 1S/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
- InChIKey
- KEBPSJRKAZKUKP-UHFFFAOYSA-N
- SMILES
- CS(=O)(=O)c1ccccc1Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers66 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
4 records
Compound notes
Loading…