2-Chloro-p-toluidine

HCID 12007CAS 615-65-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(N)c(Cl)c1
InChIKey
XGYLSRFSXKAYCR-UHFFFAOYSA-N
분자식
C7H8ClN
평균 분자량
141.6 g/mol
단동위원소 질량
141.03452694

이름 및 식별자

우선 이름
2-Chloro-p-toluidine
IUPAC
2-chloro-4-methylaniline
영어명
2-Chloro-4-methylaniline
분자식
C7H8ClN
분자량
141.6

이름 및 동의어

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
이름 더 보기
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)

데이터베이스 식별자

CAS
615-65-6
PubChem CID
12007
DTXSID
DTXSID3022083
UNII
K59ISJ2KO1
EC Number
210-440-7
Nikkaji
J48.073H

물성

구조 계산 물성

XLogP
1.9
극성 표면적
26 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
7 °C · 7 °C (lit.)
끓는 점
223 · 223-225 °C (lit.)
밀도
1.151 g/mL · 1.151 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.575(lit.)
인화점
211 °F · 211 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

clear yellow to pale brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Human Toxicity Excerpts · 3건

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XU5110000
ridadr
UN 3429 6.1/PG III (CHLOROTOLUIDINES, LIQUID)
HS 번호
29214200
risk_code
20/21/22-36/37/38-22-33

화학 및 산업

약리 정보

Metabolism/MetabolitesFORMS 2,2'-DICHLORO-4,4'-DIMETHYLAZOBENZENE IN HORSERADISH. KNOWLES ET AL, J ECOL ENT 62: 411 (1969). /FROM TABLE/

용도 및 제조

Uses · 2건

Used as an intermediate; [HSDB]

INTERMEDIATE

General Manufacturing InformationBenzenamine, 2-chloro-4-methyl-: ACTIVE

응용 분야

용도2-Chloro-4-methylaniline is an intermediate used to prepare reverse transcriptase inhibitors of HIV-1.

상·하류 제품 정보

공급사50 곳

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