2-Chloro-p-toluidine (HCID 12007)

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 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

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

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
溶解性: メタノール: 可溶
外見: 液体
酸解離定数(Pka): 3.09 · 3.09±0.10(Predicted)
色: クリアイエロー～ペールブラウン
BRN: 774514 · 774514
安定性: Acid Sensitive, Light Sensitive
InChI: 1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey: XGYLSRFSXKAYCR-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(Cl)c1
CAS データベース: 615 · 615-65-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-chloro-4-methyl-(615-65-6)
EPAの化学物質情報: 2 · Benzenamine, 2-chloro-4-methyl- (615-65-6)

化学的性質

化学的特性clear yellow to pale brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 3 件

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/

Non-Human Toxicity ExcerptsSEVERAL SUBSTITUTED ALKYL- & HALOANILINES WERE TESTED FOR THEIR ABILITY TO MUTATE SALMONELLA TYPHIMURIUM & TO DAMAGE DNA OF MAMMALIAN (CHINESE HAMSTER LUNG V79) CELLS. 4-METHYL-2-CHLOROANILINE WAS A STRONG MUTAGEN.

Non-Human Toxicity ValuesMUTATION/METABOLIC ACTIVATION SALMONELLA TYPHIMURIUM MUTATION DOSE 1 UMOL/PLATE

安全データ

F: 8-9-23
wgk: 3
tsca: TSCA listed
rtecs: XU5110000
ridadr: UN 3429 6.1/PG III (CHLOROTOLUIDINES, LIQUID)
hs_code: 29214200
risk_code: 20/21/22-36/37/38-22-33
化審法: (3)-265
消防法: 危-4-3-III
hazard_code: Xn
hazard_note: Harmful
safety_code: 36/37-37/39-26-45-36/37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
有毒物質データの: 615-65-6(Hazardous Substances Data)

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 · 2 件

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

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4-アミノ-3-クロロトルエン

基本情報