기본 정보
- 표준 SMILES
O/N=C/c1c(F)cccc1Cl- InChIKey
OBJHLLOVMKKXDI-ONNFQVAWSA-N- 분자식
- C7H5ClFNO
- 평균 분자량
- 173.57 g/mol
- 단동위원소 질량
- 173.0043696
이름 및 식별자
- 우선 이름
- 2-Chloro-6-fluorobenzaldehyde oxime
- IUPAC
- (NE)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine
- 영어명
- 2-Chloro-6-fluorobenzaldoxime
- 분자식
- C7H5ClFNO
- 분자량
- 173.57
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
443-33-4- PubChem CID
- 7329318
- EC Number
- 207-135-6
- Nikkaji
- J196.129B
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 32.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 153
물리화학적 성질
- Melting point
- 129 · 129-133 °C(lit.)
- Boiling point
- 238 · 238.0±30.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane, Ethyl Acetate
- form
- Solid
- pka
- 10.09 · 10.09±0.10(Predicted)
- color
- White
- BRN
- 3247886 · 3247886
- CAS DataBase Reference
- 443 · 443-33-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36-36/37/38
- Safety Statements
- 26 · 26-26,37/39
- WGK Germany
- 2 · 2
- Hazard Note
- Irritant
- HS Code
- 29280000 · 29280000
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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.
유해성 정보
안전 데이터
- wgk
- 2
- hs_code
- 29280000
- risk_code
- 22-36-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-26,37/39
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P280g-P305+P351+P338
화학 및 산업
응용 분야
Uses2-Chloro-6-fluorobenzaldoxime is used in the preparation of arenecarboxylic acids.
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