Methyl 2-amino-5-fluorobenzoate

HCID 2783401

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 319-24-4
표준 SMILES: COC(=O)c1cc(F)ccc1N
InChIKey: PUDDYSBKCDKATP-UHFFFAOYSA-N
분자식: C8H8FNO2
평균 분자량: 169.15 g/mol
단동위원소 질량: 169.05390672

이름 및 식별자

우선 이름: Methyl 2-amino-5-fluorobenzoate
IUPAC: methyl 2-amino-5-fluorobenzoate
영어명: 2-Amino-5-fluorobenzoic acid methyl ester
분자식: C8H8FNO2
분자량: 169.15

이름 및 동의어

Methyl 2-amino-5-fluorobenzoate319-24-4DTXSID80382639EC 608-681-1RefChem:157293DTXCID60333664608-681-12-Amino-5-fluorobenzoic acid methyl esterBENZOIC ACID, 2-AMINO-5-FLUORO-, METHYL ESTERMFCD03791308METHYL 5-FLUOROANTHRANILATEmethyl 2-amino-5-fluoro-benzoate

이름 더 보기

Methyl-5-fluoroanthranilateMethyl 2-amino-5-fluorobenzoat2-Amino-5-fluorbenzoesuremethylester2-AMINO-5-FLUOROBENZONIC ACID METHYL ESTER4-Fluoro-2-(methoxycarbonyl)aniline, Methyl 5-fluoroanthranilate

5-Fluoroanthranilic Acid Methyl EsterAKOS005255207EN300-42149methyl2-amino-5-fluorobenzoate4-Fluoro-2-(methoxycarbonyl)aniline2-amino-5-fluoro benzoic acid methyl esterFT-0612082SCHEMBL165608

데이터베이스 식별자

CAS: 319-24-4
PubChem CID: 2783401
DTXSID: DTXSID80382639
EC Number: 608-681-1

물성

구조 계산 물성

XLogP: 2.8
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

녹는점: 34 · 34-37°C
끓는 점: 100 · 100-102°C 0,5mm
밀도: 1 · 1,26 g/cm3
증기압: 10 · 10-80Pa at 20-50℃
인화점: 132 °C · 132°C
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 2.08 · 2.08±0.10(Predicted)
물리적 상태: powder to lump
색상: White to Yellow to Green
BRN: 2803210 · 2803210
LogP: 2.4 · 2.4-2.47 at 20-25℃
표면장력: 53.1 mN/m · 53.1mN/m at 1g/L and 20℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 23-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11929

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

HS 번호: 29224999
risk_code: 52/53
safety_code: 22-24/25-61
위험 참고 사항: Harmful

화학 및 산업

응용 분야 · 1건

용도2-Amino-5-fluorobenzoic acid methyl ester is used as an intermediate component in the preparation of hepatitis B virus (HBV) vaccines and quinazoline derivatives. It is also used in the synthesis of other organic heterocyclic compounds such as 2-aminobenzoates and α,β-unsaturated ketones.