CAS 4755-50-4 4-(Dimethylamino)benzoyl chloride (HCID 4400782)

基本情報

CAS: 4755-50-4
標準SMILES: CN(C)c1ccc(C(=O)Cl)cc1
InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N
分子式: C9H10ClNO
平均分子量: 183.63 g/mol
単同位体質量: 183.04509162

名称と識別子

優先名称: 4-(Dimethylamino)benzoyl chloride
IUPAC: 4-(dimethylamino)benzoyl chloride
現地名: 4-(ジメチルアミノ)ベンゾイルクロリド
英語名: 4-Dimethylaminobenzoyl chloride
分子式: C9H10ClNO
分子量: 183.63

名称と別名

4-(Dimethylamino)benzoyl chloride4755-50-4Benzoyl chloride, 4-(dimethylamino)-RefChem:97440628-343-7924-821-74-Dimethylaminobenzoyl ChlorideMFCD002360394-(dimethylamino)benzoylchloridep-dimethylaminobenzoyl chlorideDTXSID309638714-dimethylaminobenzoic acid chloride

名称をさらに表示

p-(ジメチルアミノ)ベンゾイルクロリド4-(ジメチルアミノ)ベンゾイルクロリド4-(ジメチルアミノ)安息香酸クロリドDMABCp-(Dimethylamino)benzoyl chlorideBenzoyl chloride,4-(diMethylaMino)-4-(Dimethylamino)benzoyl chloride 97%4-(Dimethylamino)benzoyl chloride,97%4-(N,N-Dimethylamino)benzoyl chloride4-(Dimethylamino)benzoic acid chloride4-(Dimethylamino)benzoyl chloride, 95%, 95%[4-(diMethylaMino)phenyl]carbonylchloranuide

STR07888AKOS009157394F161724-(Dimethylamino)-benzoyl chloride(Carboxymethyl)trimethyl-p-Dimethylaminobenzoylchlorid4-dimethyaminobenzoyl chlorideSCHEMBL103335

データベース識別子

CAS: 4755-50-4
PubChem CID: 4400782
DTXSID: DTXSID30963871
EC Number: 628-343-7、924-821-7
Nikkaji: J32.742E

物性

構造計算による物性

XLogP: 2.8
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 145 · 145-149 °C(lit.)
沸点: 180 ℃ · 180℃ (15 Torr)
比重(密度): 1.193 · 1.193±0.06 g/cm3(Predicted)
貯蔵温度: RT, stored under nitrogen
外見: powder
酸解離定数(Pka): 0.98 · 0.98±0.12(Predicted)
色: Faint brown
水溶解度: 水と反応する。
BRN: 1100858 · 1100858
InChI: 1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(Cl)=O
CAS データベース: 4755 · 4755-50-4(CAS DataBase Reference)

化学的性質

化学的特性White to tan crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29224999
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用4-Dimethylaminobenzoyl chloride is used to make other chemicals. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

一般的な説明4-(Dimethylamino)benzoyl chloride is also referred to as 4-(chloroformyl)-N,N-dimethylaniline.