4-アミノ-3-クロロトルエン
2-Chloro-p-toluidine
基本情報
- CAS
615-65-6- 標準SMILES
Cc1ccc(N)c(Cl)c1- InChIKey
XGYLSRFSXKAYCR-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-p-toluidine
- IUPAC
- 2-chloro-4-methylaniline
- 現地名
- 4-アミノ-3-クロロトルエン
- 英語名
- 2-Chloro-4-methylaniline
- 分子式
- C7H8ClN
- 分子量
- 141.6
名称と別名
2-Chloro-4-methylaniline615-65-62-CHLORO-P-TOLUIDINE4-Amino-3-chlorotolueneBenzenamine, 2-chloro-4-methyl-p-Toluidine, 2-chloro-4-Methyl-2-chloroaniline2-Chlor-4-toluidinNSC 601202-Chlor-4-toluidin [Czech]CCRIS 2887HSDB 2059
名称をさらに表示
4-アミノ-3-クロロトルエン2-クロロ-p-トルイジン2-クロロ-4-メチルアニリン2-クロロ-4-メチルベンゼン-1-アミン６－クロロ－ｐ－トルイジン2‐クロロ‐4‐メチルアニリンoro-4-methyL2-chloro-p-toluidin2-chlor-4-toluidine2-CHLORO-4-TOLUIDINE2-Chloro-4-methylani
3-Chloro-4-aminotoluene1-amino-2-chloro-4-methylbenzeneEINECS 210-440-7K59ISJ2KO1BRN 0774514NSC-60120DTXSID30220833-12-00-02152 (Beilstein Handbook Reference)
データベース識別子
- CAS
615-65-6- PubChem CID
- 12007
- DTXSID
DTXSID3022083- UNII
- K59ISJ2KO1
- EC Number
- 210-440-7
- Nikkaji
- J48.073H
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 26 Ų
- 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
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesOptical coefficient
Density1.151 @ 20 °C
SolubilitySLIGHTLY SOL IN WATER, ACETONE
Boiling Point219 °C @ 732 MM HG
Melting Point7 °C
Refractive IndexINDEX OF REFRACTION: 1.5748 @ 22 °C/D
Physical DescriptionPale yellow liquid; [MSDSonline]
物理化学的性質
- 融点
- 7 °C · 7 °C (lit.)
- 沸点
- 223 · 223-225 °C (lit.)
- 比重(密度)
- 1.151 g/mL · 1.151 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.575(lit.)
- 闪点
- 211 °F · 211 °F
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302+H312+H332 (86.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards SummaryA mutagen and severe skin irritant; [RTECS] Emergency treatment: Methemoglobinemia; Chlorotoluidines may cause hemorrhagic cystitis; [HSDB] An irritant; May induce methemoglobinemia; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (95.6%)
毒性情報
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Human Toxicity Excerpts
THE TOLUIDINES (BOTH O- AND P-) MAY PRODUCE TRANSIENT HEMATURIA AS WELL AS METHEMOGLOBINEMIA AFTER HEAVY EXPOSURES, BUT CHLORO-DERIVATIVES ARE MORE POTENT IN THIS RESPECT, ESPECIALLY 5-CHLORO-O-TOLUIDINE... /TOLUIDINES/
THE CYSTITIS RELATED TO THESE ANILINE DERIVATIVES HAS NO RELATIONSHIP TO CARCINOGENIC AMINE-RELATED PROCESSES. /CHLOROTOLUIDINES/
...HEMATURIA MAY BE OBSERVED IN MEN HANDLING CHLOROTOLUIDINES. ...MAY BE A HEMORRHAGIC CYSTITIS WITH PAINFUL & FREQUENT MICTURITION. THIS ACUTE PROBLEM... NO LONG TERM SIGNIFICANCE & CLEARS...ON CESSATION... IF...PERSISTS, OTHER PATHOLOGICAL URINARY TRACE PHENOMENA MUST BE CONSIDERED. /CHLOROTOLUIDINES/
化学と産業
薬理情報
Metabolism/MetabolitesFORMS 2,2'-DICHLORO-4,4'-DIMETHYLAZOBENZENE IN HORSERADISH. KNOWLES ET AL, J ECOL ENT 62: 411 (1969). /FROM TABLE/
用途と製造
Uses
Used as an intermediate; [HSDB]
INTERMEDIATE
General Manufacturing InformationBenzenamine, 2-chloro-4-methyl-: ACTIVE
応用分野
使用2-Chloro-4-methylaniline is an intermediate used to prepare reverse transcriptase inhibitors of HIV-1.
上流・下流製品情報
下流製品
関連反応
35 件
化合物ノート
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