2-Fluoro-3-methylaniline

HCID 22734623

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1978-33-2
표준 SMILES: Cc1cccc(N)c1F
InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N
분자식: C7H8FN
평균 분자량: 125.14 g/mol
단동위원소 질량: 125.06407742

이름 및 식별자

우선 이름: 2-Fluoro-3-methylaniline
IUPAC: 2-fluoro-3-methylaniline
영어명: 2-Fluoro-3-methylaniline
분자식: C7H8FN
분자량: 125.14

이름 및 동의어

2-Fluoro-3-methylaniline1978-33-2DTXSID00627933RefChem:260875DTXCID30578686675-536-73-amino-2-fluorotoluene2-Fluoro-m-toluidine2-fluoro-3-methyl-aniline2-fluoro-3-methylbenzenamineMFCD06410915BENZENAMINE, 2-FLUORO-3-METHYL-

이름 더 보기

Benzenamin2-Fluoro-3-methylaniline>2-FLUORO-3-METHYLBENZENAMINE3-AMINO-2-FLUOROTOLUENE, 98+%2-Fluoro-m-toluidine 3-Amino-2-fluorotoluene3-Amino-2-fluorotoluene, 2-Fluoro-m-toluidine

2-fluoro-3-methylphenylamineSCHEMBL4065132-Fluoro-3-methyl-phenylamineSCHEMBL1550874SCHEMBL17023613SBB069825AKOS005145718AB25121

데이터베이스 식별자

CAS: 1978-33-2
PubChem CID: 22734623
DTXSID: DTXSID00627933
EC Number: 675-536-7

물성

구조 계산 물성

XLogP: 1.7
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

끓는 점: 87 °C · 87 °C / 12mmHg
밀도: 1.11 · 1.11
굴절률: 1.536 · 1.5360
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 3.33 · 3.33±0.10(Predicted)
물리적 상태: 액체
색상: clear, very dark red
InChI: InChI=1S/C7H8FN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(C)=C1F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H227 (25%): Combustible liquid [Warning Flammable liquids]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesFlam. Liq. 4 (25%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)