2-플루오로-5-아미노톨루엔

4-Fluoro-m-toluidine

HCID 67981CAS 452-69-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(N)ccc1F
InChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-N
분자식: C7H8FN
평균 분자량: 125.14 g/mol
단동위원소 질량: 125.06407742

이름 및 식별자

우선 이름: 4-Fluoro-m-toluidine
IUPAC: 4-fluoro-3-methylaniline
현지명: 2-플루오로-5-아미노톨루엔
영어명: 2-Fluoro-5-aminotoluene
분자식: C7H8FN
분자량: 125.14

이름 및 동의어

4-Fluoro-m-toluidineEINECS 207-207-7DTXSID30196425NSC 88319RefChem:523311DTXCID40118916207-207-74-Fluoro-3-methylaniline452-69-75-Amino-2-fluorotoluene4-fluoro-3-methylbenzenamine2-Fluoro-5-aminotoluene

이름 더 보기

2-플루오로-5-아미노톨루엔Fluoromethylaniline64-Fluoro-5-Methylaniline3-METHYL-4-FLUOROANILINE4-Fluoro-3-methylaniline98%4-Fluoro-3-methylaniline>4-Fluoro-3-methylaniline 98%

Benzenamine, 4-fluoro-3-methyl-MFCD000252944-fluoro-3-methyl-aniline4-fluoro-3-methylphenylamineSHJ88XWX75NSC-88319NSC88319m-Toluidine, 4-fluoro-

데이터베이스 식별자

CAS: 452-69-7
PubChem CID: 67981
DTXSID: DTXSID30196425
UNII: SHJ88XWX75
EC Number: 207-207-7
Nikkaji: J149.711A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26 Å²
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: 35 °C · 35 °C
끓는 점: 85 · 85-86°C 9mm
밀도: 1 · 1,12 g/cm3
굴절률: 1.537 · 1.5370
인화점: 95 °C · 95°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: 흰색에서 회색으로
BRN: 2935561 · 2935561
InChI: InChI=1S/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
InChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(C)=C1
NIST: 4 · 4-Fluoro-3-methylaniline(452-69-7)

화학적 성질

White to brown or violet solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (17%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (12.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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.