o-Fluorobenzaldehyde

HCID 67970CAS 446-52-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=Cc1ccccc1F
InChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-N
분자식
C7H5FO
평균 분자량
124.11 g/mol
단동위원소 질량
124.03244294

이름 및 식별자

우선 이름
o-Fluorobenzaldehyde
IUPAC
2-fluorobenzaldehyde
영어명
2-Fluorobenzaldehyde
분자식
C7H5FO
분자량
124.11

이름 및 동의어

2-Fluorobenzaldehyde446-52-6o-FluorobenzaldehydeBenzaldehyde, 2-fluoro-Benzaldehyde, o-fluoro-EINECS 207-171-27ZX20DXB9ZNSC 66829BRN 0507155NSC-66829DTXSID80220304-07-00-00559 (Beilstein Handbook Reference)
이름 더 보기
Fluorobenzaldehyde1AKOS BBS-000031502-Fluorbenzaldehyd2-FLUOROBENZALDHYDE2-fluoro-benzaldehyd2-FluorobenzaldethydeLABOTEST-BB LT00941219
RefChem:855262Benzaldehyde, o-fluoro-(8CI)DTXCID102030207-171-2InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5ortho-FluorobenzaldehydeMFCD00003302fluorobenzaldehyde

데이터베이스 식별자

CAS
446-52-6
PubChem CID
67970
DTXSID
DTXSID8022030
ChEMBL
CHEMBL4084647
UNII
7ZX20DXB9Z
EC Number
207-171-2
Nikkaji
J30.717C

물성

구조 계산 물성

XLogP
1.8
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Kovats Retention Index941.5；947.3；931

물리화학적 성질

녹는점
44.5 °C · −44.5 °C(lit.)
끓는 점
90 · 90-91 °C46 mm Hg(lit.)
밀도
1.178 g/mL · 1.178 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.521(lit.)
인화점
131 °F · 131 °F
저장 조건
2 · Inert atmosphere,2-8°C

화학적 성질

clear colorless to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 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

Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (98.1%)；STOT SE 3 (96.2%)

규제 정보

Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
rtecs
CU6140000
ridadr
UN 1989 3/PG 3
HS 번호
29130000
risk_code
10-36/37/38-22
hazard_code
Xi,F,Xn

화학 및 산업

응용 분야 · 1건

용도2-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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