CAS 27917-13-1 5-Chloro-2-methylbenzylamine (HCID 2757673)

基本情報

CAS: 27917-13-1
標準SMILES: Cc1ccc(Cl)cc1CN
InChIKey: WXDWGQCDPGFBEN-UHFFFAOYSA-N
分子式: C8H10ClN
平均分子量: 155.62 g/mol
単同位体質量: 155.050177

名称と識別子

優先名称: 5-Chloro-2-methylbenzylamine
IUPAC: (5-chloro-2-methylphenyl)methanamine
現地名: 5-クロロ-2-メチルベンジルアミン
英語名: 5-Chloro-2-methylbenzylamine
分子式: C8H10ClN
分子量: 155.62

名称と別名

5-Chloro-2-methylbenzylamine27917-13-1DTXSID10373999RefChem:302441DTXCID30325031(5-chloro-2-methylphenyl)methanamine1-(5-chloro-2-methylphenyl)methanamineMFCD01310800(5-chloro-2-methyl-phenyl)methanamine2-Methyl-5-chlorobenzylamine5-chloro-2-methyl-benzylamineSCHEMBL1640771

名称をさらに表示

5-クロロ-2-メチルベンジルアミンRARECHEM AL BW 0489Benzenemethanamine, 5-chloro-2-methyl-

WXDWGQCDPGFBEN-UHFFFAOYSA-NCBA91713(5-chloro-2-methylphenyl)methylamineAKOS006347206FS-15355-Chloro-2-methylbenzylamine, AldrichCPRDA-07388CS-0281510

データベース識別子

CAS: 27917-13-1
PubChem CID: 2757673
DTXSID: DTXSID10373999
EC Number: 674-020-9

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

沸点: 100 °C · 100°C 10mm
比重(密度): 1 · 1,14 g/cm3
酸解離定数(Pka): 8.95 · 8.95±0.10(Predicted)
外見: solid
比重: 1.14 · 1.14
InChI: 1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
InChIKey: WXDWGQCDPGFBEN-UHFFFAOYSA-N
SMILES: Cc1ccc(Cl)cc1CN

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

wgk: WGK 3
ridadr: 2735
risk_code: 34-36
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects