기본 정보
- CAS
158559-76-3- 표준 SMILES
CCOP(=O)(Cc1ccc(C(=O)OC)cc1F)OCC- InChIKey
BNAFOHSNCMFBOU-UHFFFAOYSA-N- 분자식
- C13H18FO5P
- 평균 분자량
- 304.25 g/mol
- 단동위원소 질량
- 304.08758883
이름 및 식별자
- 우선 이름
- Methyl 4-[(diethoxyphosphoryl)methyl]-3-fluorobenzoate
- IUPAC
- methyl 4-(diethoxyphosphorylmethyl)-3-fluorobenzoate
이름 및 동의어
158559-76-3methyl 4-[(diethoxyphosphoryl)methyl]-3-fluorobenzoateMethyl 4-((diethoxyphosphoryl)methyl)-3-fluorobenzoateRefChem:815791996-663-7methyl 4-(diethoxyphosphorylmethyl)-3-fluorobenzoatemethyl 4-(diethoxyphosphorylmethyl)-3-fluoro-benzoateC13H18FO5PSCHEMBL4311343BNAFOHSNCMFBOU-UHFFFAOYSA-NAKOS027324998EN300-226031
이름 더 보기
diethyl 2-fluoro-4-carbomethoxybenzylphosphonateMethyl 4-(diethoxyphosphorylmethyl)-3-fluorobenzenecarboxylate
데이터베이스 식별자
- CAS
158559-76-3- PubChem CID
- 23498922
- EC Number
- 996-663-7
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 353
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
관련 반응
3건
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