기본 정보
- 표준 SMILES
Cc1cc(F)ccc1N- InChIKey
KMHLGVTVACLEJE-UHFFFAOYSA-N- 분자식
- C7H8FN
- 평균 분자량
- 125.14 g/mol
- 단동위원소 질량
- 125.06407742
이름 및 식별자
- 우선 이름
- 4-Fluoro-2-methylaniline
- IUPAC
- 4-fluoro-2-methylaniline
- 현지명
- 4-플루오로-2-메틸아닐린
- 영어명
- 4-Fluoro-2-methylaniline
- 분자식
- C7H8FN
- 분자량
- 125.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
452-71-1- PubChem CID
- 67982
- DTXSID
DTXSID6060008- UNII
- P7D3BF9SJM
- EC Number
- 207-208-2
- Nikkaji
- J149.713H
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 94
물리화학적 성질
- 녹는점
- 14.2 °C · 14.2°C
- 끓는 점
- 90 · 90-92 °C/16 mmHg (lit.)
- 밀도
- 1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.537(lit.)
- 인화점
- 190 °F · 190 °F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 산도 계수 (pKa)
- 4.51 · 4.51±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Light yellow to Yellow to Orange
- Specific Gravity
- 1.126 · 1.126
- BRN
- 1931798 · 1931798
- InChI
- 1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
- InChIKey
- KMHLGVTVACLEJE-UHFFFAOYSA-N
- SMILES
- Cc1cc(F)ccc1N
- NIST
- 4 · Benzenamine, 4-fluoro-2-methyl-(452-71-1)
- EPA
- 4 · 4-Fluoro-2-methylaniline (452-71-1)
화학적 성질
colorlesstolightyellowliqui
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (89.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY0500000
- ridadr
- 2810
- HS 번호
- 29214300
- risk_code
- 20/21/22-36/37/38-23/24/25
- hazard_code
- Xn,T,Xi
- safety_code
- 26-36/37/39-45-36
- 포장분류
- III
- 위험 등급
- 6.1
- 위험 참고 사항
- Toxic/Irritant
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.
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