5-Methyl-1,2-oxazole-4-sulfonyl chloride

HCID 2776141
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Basic information

CAS
321309-26-6
Standard SMILES
Cc1oncc1S(=O)(=O)Cl
InChIKey
STYUNYVEEFPQMF-UHFFFAOYSA-N
Molecular formula
C4H4ClNO3S
Average molar mass
181.6 g/mol
Monoisotopic mass
180.9600419

Names & identifiers

Preferred name
5-Methyl-1,2-oxazole-4-sulfonyl chloride
IUPAC
5-methyl-1,2-oxazole-4-sulfonyl chloride
English name
5-Methyl-4-isoxazolesulfonyl chloride
Molecular formula
C4H4ClNO3S
Molecular weight
181.6

Names & synonyms

5-methyl-1,2-oxazole-4-sulfonyl ChlorideRefChem:536796812-451-85-Methyl-4-isoxazolesulfonyl chloride321309-26-65-methylisoxazole-4-sulfonyl chlorideMFCD02681975DTXSID30379837CS-W0056185-methyl-4-isoxazole sulfonyl chloride5-METHYL-4-ISOXAZOLESULFONYLCHLORIDEEN300-312299
Show more names
5-Methylisoxazole-4-sulfonylchloride5-Methyl-isoxazol-4-sulfonyl chloride4-(Chlorosulphonyl)-5-methylisoxazole5-METHYL-4-ISOXAZOLESULPHONYL CHLORIDE5-Methylisoxazole-4-sulphonyl chloride4-Isoxazolesulfonylchloride,5-methyl-(9CI)4-(Chlorosulphonyl)-5-methylisoxazole, 5-Methyl-1,2-oxazole-4-sulphonyl chloride
5-methyl-4-isoxazolesulfonyl chloride, AldrichCPR4-Isoxazolesulfonyl chloride, 5-methyl-4-IsoxazoleFT-0620634SCHEMBL7458194-chlorosulfonyl-5-methylisoxazoleSBB089836chloro(5-methylisoxazol-4-yl)sulfone

Database identifiers

CAS
321309-26-6
PubChem CID
2776141
DTXSID
DTXSID30379837
EC Number
812-451-8

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
68.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
56 · 56-58°C 0,7mm
Density
1.534 · 1.534±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-7.68 · -7.68±0.50(Predicted)
form
low melting solid
color
Colourless to light brown

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 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 Corr. 1B (100%)；STOT SE 3 (50%)

Safety data

wgk
WGK 3
ridadr
3261
hs_code
2934999090
risk_code
34-36
Signal word
Danger
Symbol(GHS)
GHS05

Chemistry & industry

Upstream & downstream products

Suppliers45 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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