기본 정보
- CAS
620-84-8- 표준 SMILES
Cc1ccc(Nc2ccccc2)cc1- InChIKey
AGHYMXKKEXDUTA-UHFFFAOYSA-N- 분자식
- C13H13N
- 평균 분자량
- 183.25 g/mol
- 단동위원소 질량
- 183.10479942
이름 및 식별자
- 우선 이름
- N-Phenyl-p-toluidine
- IUPAC
- 4-methyl-N-phenylaniline
- 영어명
- 4-Methyldiphenylamine
- 분자식
- C13H13N
- 분자량
- 183.25
이름 및 동의어
4-Methyldiphenylamine620-84-8Benzenamine, 4-methyl-N-phenyl-N-Phenyl-p-toluidinep-Toluidine, N-phenyl-8LQZ8N5BSLn-4-tolylaniline(4-methylphenyl)phenylamineEINECS 210-655-64-Methyl-N-phenylbenzenamineDTXSID5060724N-(4-methylphenyl)-N-phenylamine
이름 더 보기
4-METHYDIPHENYLAMINEPHENYL-P-TOLYL-AMINE4-Methyldiphenylamine>4-Methyl two phenylaMine2/ 4-Methyldiphenyl Amine4-METHYLDIPHENYLAMINE 98+%
N-P-TOLYLANILINEP-METHYLDIPHENYLAMINERefChem:830976DTXCID0043210210-655-64-methyl-N-phenylanilineMFCD00092921Phenyl-p-tolylamine
데이터베이스 식별자
- CAS
620-84-8- PubChem CID
- 12109
- DTXSID
DTXSID5060724- ChEMBL
CHEMBL1540398- UNII
- 8LQZ8N5BSL
- EC Number
- 210-655-6
- Nikkaji
- J29.920K
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 153
물리화학적 성질
- 녹는점
- 90 °C · 90°C
- 끓는 점
- 317 °C · 317 °C / 704mmHg
- 밀도
- 1.065 · 1.0650 (rough estimate)
- 굴절률
- 1.5963 · 1.5963 (estimate)
- 인화점
- 155 ° · 155°(311°F)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 1.23 · 1.23±0.20(Predicted)
- 물리적 상태
- 수정 같은
- 색상
- 옅은 갈색
- 수용성
- 물에 불용성. 벤젠, 톨루엔, 메탄올, 에탄올에 용해됨
- InChI
- InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
- InChIKey
- AGHYMXKKEXDUTA-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2)=CC=C(C)C=C1
- EPA
- 4 · Benzenamine, 4-methyl-N-phenyl- (620-84-8)
화학적 성질
White crystalline
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- HS 번호
- 29214400
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenamine, 4-methyl-N-phenyl-: ACTIVE
응용 분야
용도4-Methyldiphenylamine is used as a syntheses material intermediates as well as OLED materials. It can be used in agrochemical, pharmaceutical and dyestuff field.
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