Basic information
- CAS
62667-25-8- Standard SMILES
O=Cc1nc2ccccc2o1- InChIKey
RXXZBZOUCQAOSC-UHFFFAOYSA-N- Molecular formula
- C8H5NO2
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.0320284
Names & identifiers
- Preferred name
- 1,3-Benzoxazole-2-carbaldehyde
- IUPAC
- 1,3-benzoxazole-2-carbaldehyde
- English name
- Benzooxazole-2-carbaldehyde
- Molecular formula
- C8H5NO2
- Molecular weight
- 147.13
Names & synonyms
1,3-benzoxazole-2-carbaldehydeRefChem:413876819-306-862667-25-8Benzooxazole-2-carbaldehydeBenzo[d]oxazole-2-carbaldehyde2-BenzoxazolecarboxaldehydeMFCD034125862-BenzoxazolecarbaldehydeBenzoxazole-2-carbaldehydebenzoxazolecarbaldehydebenzoxazol-2-carbaldehyde
Show more names
RARECHEM AK ML 0183Benzazole-2-formaldehydeBenzoxazol-2-formaldehyde1,3-benzoxazole-2-carboxaldehyde2-Benzoxazolecarboxaldehyde (6CI, 9CI)
Benzoxazole-2-carboxaldehydeSCHEMBL223563SCHEMBL223564DTXSID50403648RXXZBZOUCQAOSC-UHFFFAOYSA-NAKOS002688057DS-2618SY206427
Database identifiers
- CAS
62667-25-8- PubChem CID
- 4483393
- DTXSID
DTXSID50403648- EC Number
- 819-306-8
- Nikkaji
- J2.258.492H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 276.3 · 276.3±23.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 0.17 · 0.17±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers37 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
合肥启明医药科技有限公司15105695099
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海藜筠生物科技有限公司13119135307
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
郓城恒立生物科技有限公司15552097599 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
6 records
Compound notes
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