2-クロロ-5-メチルアニリン

2-Chloro-5-methylaniline

HCID 66770CAS 95-81-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(Cl)c(N)c1
InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
分子式: C7H8ClN
平均分子量: 141.6 g/mol
単同位体質量: 141.03452694

名称と識別子

優先名称: 2-Chloro-5-methylaniline
IUPAC: 2-chloro-5-methylaniline
現地名: 2-クロロ-5-メチルアニリン
英語名: 2-Chloro-5-methylaniline
分子式: C7H8ClN
分子量: 141.6

名称と別名

2-Chloro-5-methylaniline95-81-86-Chloro-m-toluidineBenzenamine, 2-chloro-5-methyl-CCRIS 288833NGJ21B5BEINECS 202-454-7UNII-33NGJ21B5BDTXSID0074554RefChem:86303DTXCID7048956202-454-7

名称をさらに表示

3-アミノ-4-クロロトルエン2-クロロ-5-メチルベンゼンアミン2-クロロ-5-メチルアニリン６－クロロ－ｍ－トルイジン６クロロｍトルイジン2-Thiophenol2-Chloro-5-methylani2-Chloro-5-methylaniline >2-Chloro-5-methylaniline 99+%2-CHLORO-5-METHYLANILINE 99%2-chloro-5-methyl-Benzenamine2-Chloro-5-Methylaniline, 97+%

HPSCXFOQUFPEPE-UHFFFAOYSA-NInChI=1/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3-AMINO-4-CHLOROTOLUENEMFCD000076742-chloro-5-methylbenzenamine2-chloro-5-methylphenylamine2-chloro-5-methyl aniline2-chloro-5-methyl-aniline

データベース識別子

CAS: 95-81-8
PubChem CID: 66770
DTXSID: DTXSID0074554
UNII: 33NGJ21B5B
EC Number: 202-454-7
Nikkaji: J153.388F

物性

構造計算による物性

XLogP: 2.5
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: 0
重原子数: 9
形式電荷: 0
複雑度: 94.9

物理化学的性質

融点: 31 · 31-33°C
沸点: 228 · 228-230°C
比重(密度): 1.1359 · 1.1359 (rough estimate)
屈折率: 1.5748 · 1.5748 (estimate)
闪点: 228 · 228-230°C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: powder to lump
酸解離定数(Pka): 2.78 · 2.78±0.10(Predicted)
色: White to Almost white
主な用途: 診断アッセイの製造血液学組織学
InChI: 1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
SMILES: Cc1ccc(Cl)c(N)c1
CAS データベース: 95 · 95-81-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Chloro-5-methylaniline(95-81-8)
EPAの化学物質情報: 2 · Benzenamine, 2-chloro-5-methyl- (95-81-8)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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)

Aggregated GHS information provided per 47 reports by companies from 7 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 CategoriesAcute Tox. 4 (93.6%)

安全データ

wgk: 3
ridadr: UN2239
hs_code: 29214300
risk_code: 20/21/22-36/37/38-36/37-28-26
化審法: (3)-265
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-28-45-36/38-33-20/21/22
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用2-Chloro-5-methylaniline is used in the synthesis and preparation of acylthiourea derivative for potential used of anti-viral agents against vaccinia and La Crosse viruses.