Pyridin-4-ylmethanesulfonyl Chloride

HCID 3789553
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Basic information

CAS
130820-88-1
Standard SMILES
O=S(=O)(Cl)Cc1ccncc1
InChIKey
GSXAZLRAMNDMDB-UHFFFAOYSA-N
Molecular formula
C6H6ClNO2S
Average molar mass
191.64 g/mol
Monoisotopic mass
190.98077711

Names & identifiers

Preferred name
Pyridin-4-ylmethanesulfonyl Chloride
IUPAC
pyridin-4-ylmethanesulfonyl chloride
English name
4-Pyridinemethanesulfonyl chloride
Molecular formula
C6H6ClNO2S
Molecular weight
191.64

Names & synonyms

Pyridin-4-ylmethanesulfonyl Chloride130820-88-14-PYRIDINEMETHANESULFONYL CHLORIDE(pyridin-4-yl)methanesulfonyl chlorideMFCD056624494-Pyridylmethanesulfonyl chlorideSCHEMBL1457326DTXSID80396438GEO-03395Pyridine-4-ylmethanesulfonyl chlorideAKOS000142092AB21753
Show more names
(4-Pyridylmethyl)sulfonyl chloride4-Pyridinylmethanesulfonyl chloridePYRIDIN-4-YL-METHANESULFONYL CHLORIDE4-Pyridinemethanesulfonyl chloride (9CI, ACI)4-PYRIDINEMETHANESULFONYL CHLORIDE ISO 9001：2015 REACH
CS-0268495EN300-57760

Database identifiers

CAS
130820-88-1
PubChem CID
3789553
DTXSID
DTXSID80396438

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
327.1 · 327.1±25.0 °C(Predicted)
Density
1.458 · 1.458±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
4.04 · 4.04±0.10(Predicted)
Hazard Codes
Xi
Risk Statements
36 · 36

Safety & regulation

Safety data

risk_code
36
hazard_code
Xi
safety_code
26
hazard_class
IRRITANT

Chemistry & industry

Suppliers18 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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