2-Chloro-3-methylbutanoyl chloride

HCID 12239727
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Basic information

CAS
35383-59-6
Standard SMILES
CC(C)C(Cl)C(=O)Cl
InChIKey
AJCRZNJYNFAQAC-UHFFFAOYSA-N
Molecular formula
C5H8Cl2O
Average molar mass
155.02 g/mol
Monoisotopic mass
153.9952203

Names & identifiers

Preferred name
2-Chloro-3-methylbutanoyl chloride
IUPAC
2-chloro-3-methylbutanoyl chloride

Names & synonyms

2-chloro-3-methylbutanoyl chlorideRefChem:468723834-981-935383-59-6Butanoyl chloride, 2-chloro-3-methyl-2-ChlorisovalerylchloridSCHEMBL49706852-chloro-3-methylbutanoylchlorideDTXSID40481930AJCRZNJYNFAQAC-UHFFFAOYSA-N2-chloro-3-methyl butanoyl chloride2-chloro-3-methyl-butanoyl chloride
Show more names
CS-0343653EN300-269660

Database identifiers

CAS
35383-59-6
PubChem CID
12239727
DTXSID
DTXSID40481930
EC Number
834-981-9
Nikkaji
J1.007.832F

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
8

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesFlam. Liq. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)；STOT SE 3 (100%)

Related reactions

1 records
New reaction record

Compound notes

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