4-플루오로-2-니트로벤조산

4-Fluoro-2-nitrobenzoic acid

HCID 2737416

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 394-01-4
표준 SMILES: O=C(O)c1ccc(F)cc1[N+](=O)[O-]
InChIKey: YLUCXHMYRQUERW-UHFFFAOYSA-N
분자식: C7H4FNO4
평균 분자량: 185.11 g/mol
단동위원소 질량: 185.01243577

이름 및 식별자

우선 이름: 4-Fluoro-2-nitrobenzoic acid
IUPAC: 4-fluoro-2-nitrobenzoic acid
현지명: 4-플루오로-2-니트로벤조산
영어명: 4-Fluoro-2-nitrobenzoic acid
분자식: C7H4FNO4
분자량: 185.11

이름 및 동의어

4-Fluoro-2-nitrobenzoic acid394-01-4EINECS 206-890-9DTXSID50192585RefChem:98965DTXCID90115076206-890-92-nitro-4-fluorobenzoic acid4-fluoro-2-nitrobenzoicacidbenzoic acid, 4-fluoro-2-nitro-MFCD000243004-Fluoro-2-nitro-benzoic acid

이름 더 보기

4-플루오로-2-니트로벤조산4-플루오로-2-나이트로벤조산BUTTPARK 45\01-65RARECHEM AL BO 1973Afatinib Impurity 982-Nitro-4-Fluoro Benzoic4-Fluor-2-nitrobenzoesure2-Nitro-4-Fluoroluere acid24-Fluoro-2-NitrobenzoicAc4-Fluoro-2-nitrobenzotc acid

XLA7LVL3HK4-Fluor-2-nitro-benzoesaureSCHEMBL4047504-fluoro-2-nitro benzoic acidCL4116SBB0285084-Fluoro-2-nitrobenzoic acid, 98%AKOS005255363

데이터베이스 식별자

CAS: 394-01-4
PubChem CID: 2737416
DTXSID: DTXSID50192585
UNII: XLA7LVL3HK
EC Number: 206-890-9
Nikkaji: J213.628G

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 140 · 140-145 °C (lit.)
끓는 점: 343.8 · 343.8±27.0 °C(Predicted)
밀도: 1.568 · 1.568±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 2.14 · 2.14±0.25(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C7H4FNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChIKey: YLUCXHMYRQUERW-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(F)C=C1[N+]([O-])=O

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Fluoro-2-nitrobenzoic acid has been used to study the reactions of substituted pyridines with the salicyl phosphate dianion.

상·하류 제품 정보

상류 원료

1-(4-플루오로-2-니트로페닐)메탄디올1,1-디아세테이트 1,1'-Biphenyl, 4,4'-difluoro-2,2'-dinitro-4-플루오로-2-니트로-바이페닐 밥타크89/07-47 4-플루오로-2-니트로아세타닐라이드 4-Fluoro-2-nitrobenzonitrile 4-플루오로-2-니트로-벤잘데하이드 4-플루오로-2-니트로톨루엔 4-플루오로-2-니트로아닐린 M-니트로-P-톨루이딘 아세트산(빙초산)

하류 제품

엔트렉티닙 1-Bromo-4-fluoro-2-nitrobenzene tert-butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

화합물 노트

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