2-(Propane-1-sulfonyl)acetonitrile

HCID 519441
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Basic information

CAS
175137-61-8
Standard SMILES
CCCS(=O)(=O)CC#N
InChIKey
OVGCBSNAUREBIE-UHFFFAOYSA-N
Molecular formula
C5H9NO2S
Average molar mass
147.2 g/mol
Monoisotopic mass
147.0353997

Names & identifiers

Preferred name
2-(Propane-1-sulfonyl)acetonitrile
IUPAC
2-propylsulfonylacetonitrile
English name
1-Propanesulphonylacetonitrile
Molecular formula
C5H9NO2S
Molecular weight
147.2

Names & synonyms

2-(propane-1-sulfonyl)acetonitrile2-(PROPYLSULFONYL)ACETONITRILERefChem:462050856-694-8175137-61-8Propanesulfonylacetonitrile2-propylsulfonylacetonitrileAcetonitrile, 2-(propylsulfonyl)-(Propylsulfonyl)acetonitrile1-PROPANESULPHONYLACETONITRILEMFCD000516942-propanesulfonylacetonitrile
Show more names
N-Propylsulfonylacetonitrile(Propylsulphonyl)acetonitrile1-Propanesulfonylacetonitrile1-PROPANESULPHONYLACETONITRILE 98%
2-PROPANESULPHONYLACETONITRILE(Propylsulfonyl)acetonitrile #2-(Propylsulphonyl)acetonitrileSCHEMBL4006475(Propane-1-sulfonyl)acetonitrileDTXSID50334024AHA13761ALBB-034626

Database identifiers

CAS
175137-61-8
PubChem CID
519441
DTXSID
DTXSID50334024
EC Number
856-694-8

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Boiling point
150 °C · 150 °C
Density
1.173 · 1.173±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
332 · H332-H312-H335-H319-H302-H315
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Harmful/Irritant
Hazard statements
H332-H312-H335-H319-H302-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501

Chemistry & industry

Upstream & downstream products

Suppliers7 total

砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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