기본 정보
- 표준 SMILES
O=Cc1c(F)cccc1F- InChIKey
SOWRUJSGHKNOKN-UHFFFAOYSA-N- 분자식
- C7H4F2O
- 평균 분자량
- 142.1 g/mol
- 단동위원소 질량
- 142.02302107
이름 및 식별자
- 우선 이름
- 2,6-Difluorobenzaldehyde
- IUPAC
- 2,6-difluorobenzaldehyde
- 현지명
- 디플르오르벤조알데히드(2,6-)
- 영어명
- 2,6-Difluorobenzaldehyde
- 분자식
- C7H4F2O
- 분자량
- 142.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
437-81-0- PubChem CID
- 136284
- DTXSID
DTXSID40195909- UNII
- KZG3V2A6HW
- EC Number
- 610-142-0
- Nikkaji
- J796.629F
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 117
물리화학적 성질
- 녹는점
- 15 · 15-17 °C (lit.)
- 끓는 점
- 82 · 82-84 °C/15 mmHg (lit.)
- 밀도
- 1.317 g/mL · 1.317 g/mL at 25 °C (lit.)
- 증기압
- 40.1 · 40.1-900hPa at 94.5-189℃
- 굴절률
- 20 · n20/D 1.502(lit.)
- 인화점
- 164 °F · 164 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- Specific Gravity
- 1.317 · 1.317
- 색상
- 맑은 노란색에서 밝은 노란색까지
- BRN
- 1935273 · 1935273
- InChI
- 1S/C7H4F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChIKey
- SOWRUJSGHKNOKN-UHFFFAOYSA-N
- SMILES
- Fc1cccc(F)c1C=O
- LogP
- 1.46 at · 1.46 at 25℃ and pH2
- 표면장력
- 73.1 mN/m · 73.1mN/m at 1g/L and 20℃
화학적 성질
clear light yellow to bright yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (92.3%): 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 52 reports by companies from 10 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 Information
Chemical: Benzaldehyde, 2,6-difluoro-
Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390
규제 정보
Regulatory Information
Chemical: Benzaldehyde, 2,6-difluoro-
Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390
안전 데이터
- wgk
- 2
- HS 번호
- 29130000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39-36/37
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-10541
- F 고인화성물질
- 10-23
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Skin Corr. 1C
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도2,6-Difluorobenzaldehyde can be used as a reactant to synthesize: 5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea. 1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.
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