CAS 86505-94-4 Methyl 2-amino-6-fluorobenzoate (HCID 2818492)

기본 정보

CAS: 86505-94-4
표준 SMILES: COC(=O)c1c(N)cccc1F
InChIKey: VKJYAPKCOSGXAD-UHFFFAOYSA-N
분자식: C8H8FNO2
평균 분자량: 169.15 g/mol
단동위원소 질량: 169.05390666

이름 및 식별자

우선 이름: Methyl 2-amino-6-fluorobenzoate
IUPAC: methyl 2-amino-6-fluorobenzoate
현지명: 메틸2-아미노-6-플루오로벤조에이트
영어명: Methyl 2-amino-6-fluorobenzoate
분자식: C8H8FNO2
분자량: 169.15

이름 및 동의어

methyl 2-amino-6-fluorobenzoate86505-94-4DTXSID30384769RefChem:354075DTXCID50335793874-920-3Methyl 2-amino-6-fluorobenzaoteMFCD01763810Benzoic acid, 2-amino-6-fluoro-, methyl esterMethyl 2-amino-6-fluoro-benzoateMaybridge1_004364methyl 6-fluoroanthranilate

이름 더 보기

메틸2-아미노-6-플루오로벤조에이트

2-AMINO-6-FLUORO-BENZOIC ACID METHYL ESTERHMS553O10Z424767602Benzenepropanoic acid, 4-ethoxy-.alpha.-oxo-SCHEMBL1489210VKJYAPKCOSGXAD-UHFFFAOYSA-NCCG-52397MB0203

데이터베이스 식별자

CAS: 86505-94-4
PubChem CID: 2818492
DTXSID: DTXSID30384769
EC Number: 874-920-3
Nikkaji: J3.058.472D

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 266.6 · 266.6±25.0 °C(Predicted)
밀도: 1.264 · 1.264±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 1.18 · 1.18±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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.