基本情報
- CAS
871367-13-4- 標準SMILES
O=c1[nH]c2cc(F)c(F)cc2o1- InChIKey
FHIXRLXLYMWKKM-UHFFFAOYSA-N- 分子式
- C7H3F2NO2
- 平均分子量
- 171.1 g/mol
- 単同位体質量
- 171.01318466
名称と識別子
- 優先名称
- 5,6-difluorobenzo[d]oxazol-2(3H)-one
- IUPAC
- 5,6-difluoro-3H-1,3-benzoxazol-2-one
名称と別名
5,6-difluorobenzo[d]oxazol-2(3H)-one871367-13-45,6-difluoro-3H-benzooxazol-2-oneSCHEMBL2549381FHIXRLXLYMWKKM-UHFFFAOYSA-N5,6-difluoro-3H-benzoxazol-2-one
データベース識別子
- CAS
871367-13-4- PubChem CID
- 11535637
- EC Number
- 118-781-2
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 38.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 212
安全と法規制
GHS分類
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.
危険有害性情報
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%)
関連反応
3 件
化合物ノート
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