2-Chloro-3-methylbutanoyl chloride

HCID 12239727
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
35383-59-6
標準SMILES
CC(C)C(Cl)C(=O)Cl
InChIKey
AJCRZNJYNFAQAC-UHFFFAOYSA-N
分子式
C5H8Cl2O
平均分子量
155.02 g/mol
単同位体質量
153.9952203

名称と識別子

優先名称
2-Chloro-3-methylbutanoyl chloride
IUPAC
2-chloro-3-methylbutanoyl chloride

名称と別名

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
名称をさらに表示
CS-0343653EN300-269660

データベース識別子

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

物性

構造計算による物性

XLogP
2.8
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
8

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)；STOT SE 3 (100%)

関連反応

1 件
反応記録を作成

化合物ノート

読み込み中…