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Pent-4-ene-1-sulfonyl chloride

HCID 14872245
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
60154-77-0
Standard SMILES
C=CCCCS(=O)(=O)Cl
InChIKey
MWMAHNLJLSYHDC-UHFFFAOYSA-N
Molecular formula
C5H9ClO2S
Average molar mass
168.64 g/mol
Monoisotopic mass
168.0011784

Names & identifiers

Preferred name
Pent-4-ene-1-sulfonyl chloride
IUPAC
pent-4-ene-1-sulfonyl chloride
English name
4-Pentene-1-sulfonyl Chloride
Molecular formula
C5H9ClO2S
Molecular weight
168.64

Names & synonyms

pent-4-ene-1-sulfonyl chloride60154-77-0RefChem:859655848-649-64-Pentene-1-sulfonyl chlorideMFCD191594834-pentenesulfonyl chloridepent-4-ene-1-sulfonylchlorideSCHEMBL1273701MWMAHNLJLSYHDC-UHFFFAOYSA-NAC6449AKOS006223182
Show more names
4-penten-1-sulfonyl chloride
SY198673WS-03267EN300-211754

Database identifiers

CAS
60154-77-0
PubChem CID
14872245
EC Number
848-649-6
Nikkaji
J1.780.927J

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
166

Physicochemical properties

Boiling point
60 · 60-66 °C
Density
1.216 · 1.216±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
227 · H227-H335-H314
Precautionary statements
260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P280-P370+P378-P403+P235-P501

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 · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, 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 CategoriesFlam. Liq. 4 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H227-H335-H314
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Suppliers10 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]

Related reactions

4 records
New reaction record
HRID 206144 reaction equation
HRID 206144As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1360111 reaction equation
HRID 1360111As reactantuspto-grants-2011_02
HRID 1554603 reaction equation
HRID 1554603As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2229454 reaction equation
HRID 2229454As productuspto-grants-2002_07

Compound notes

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