2-Chloro-p-toluidine
기본 정보
- CAS
615-65-6- 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
- 형식 전하
- 0
- 복잡도
- 94.9
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
Refractive IndexINDEX OF REFRACTION: 1.5748 @ 22 °C/D
Physical DescriptionPale yellow liquid; [MSDSonline]
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
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
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/
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
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.
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하류 제품
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