6-クロロ-2,4-ジメチルアニリン

2-Chloro-4,6-dimethylaniline

HCID 113033

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基本情報

CAS: 63133-82-4
標準SMILES: Cc1cc(C)c(N)c(Cl)c1
InChIKey: LKAQFOKMMXWRRQ-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: 2-Chloro-4,6-dimethylaniline
IUPAC: 2-chloro-4,6-dimethylaniline
現地名: 6-クロロ-2,4-ジメチルアニリン
英語名: 2-Chloro-4,6-dimethylaniline
分子式: C8H10ClN
分子量: 155.62

名称と別名

2-Chloro-4,6-dimethylaniline63133-82-46-Chloro-2,4-dimethylanilineBenzenamine, 2-chloro-4,6-dimethyl-2-Chloro-4,6-xylidineDTXSID9040714M21NJ0OHPPEINECS 263-896-4DTXCID70207146-CHLORO-2,4-XYLIDINE2,4-XYLIDINE, 6-CHLORO-RefChem:468792

名称をさらに表示

2,4-ジメチル-6-クロロアニリン2-クロロ-4,6-ジメチルアニリン6-クロロ-2,4-ジメチルアニリン2，4‐ジメチル‐6‐クロロアニリンORO-4,6-DIMETHYLAKOS BBS-00003702TIMTEC-BB SBB004021LABOTEST-BB LT000534502,4-Dimethyl-6-chloroaniline2-chloro-4,6-dimethyl-benzenamin2-Chloro-4,6-dimethylaniline 96%

2-chloro-4,6-dimethyl anilineMFCD000441182-chloro-4,6-dimethylphenylamine2-chloro-4,6-dimethyl-anilineSCHEMBL698002SCHEMBL6378939CHEMBL31846642-Chloro-4,6-dimethylaniline #

データベース識別子

CAS: 63133-82-4
PubChem CID: 113033
DTXSID: DTXSID9040714
ChEMBL: CHEMBL3184664
UNII: M21NJ0OHPP
EC Number: 263-896-4
Nikkaji: J28.393B

物性

構造計算による物性

XLogP: 2.6
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: 10
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 38 · 38-40 °C (lit.)
沸点: 256.04 °C · 256.04°C (rough estimate)
比重(密度): 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
屈折率: 1.549 · 1.5490 (estimate)
闪点: 230 °F · >230 °F
酸解離定数(Pka): 2.94 · 2.94±0.10(Predicted)
外見: solid
InChI: 1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(N)c(Cl)c1
EPAの化学物質情報: 2 · Benzenamine, 2-chloro-4,6-dimethyl- (63133-82-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 2
risk_code: 23/24/25-36/37/38-40-45
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 OralCarc. 2Eye 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

用途と製造

General Manufacturing InformationBenzenamine, 2-chloro-4,6-dimethyl-: INACTIVE

応用分野

一般的な説明2-Chloro-4,6-dimethylaniline is an aromatic amine. It is an organic building block used in chemical synthesis. Its boiling point, freezing point, density and refractive index have been determined.