Basic information
- CAS
808140-97-8- Standard SMILES
OB(O)c1cccc(OC2CC2)c1- InChIKey
ZXNZZEIYAXQMJH-UHFFFAOYSA-N- Molecular formula
- C9H11BO3
- Average molar mass
- 177.99 g/mol
Names & identifiers
- Preferred name
- (3-Cyclopropoxyphenyl)boronic acid
- IUPAC
- (3-cyclopropyloxyphenyl)boronic acid
- English name
- 3-Cyclopropoxyphenylboronic Acid
- Molecular formula
- C9H11BO3
- Molecular weight
- 177.99
Names & synonyms
(3-CYCLOPROPOXYPHENYL)BORONIC ACID808140-97-8RefChem:400137994-268-43-Cyclopropoxyphenylboronic acid(3-cyclopropyloxyphenyl)boronic acidMFCD16996193Boronic acid, [3-(cyclopropyloxy)phenyl]-[3-(cyclopropoxy)phenyl]boronic acidSCHEMBL2404611ZXNZZEIYAXQMJH-UHFFFAOYSA-NIHB14097
Show more names
Boronic acid, B-[3-(cyclopropyloxy)phenyl]-(3-Cyclopropoxyphenyl)boronic acid - [C89456]
AKOS037649251AT13882MB20158(3-CYCLOPROPOXYPHENYL)BORONICACIDB-[3-(Cyclopropyloxy)phenyl]boronic acidBS-17558SY269094DB-400495
Database identifiers
- CAS
808140-97-8- PubChem CID
- 67394331
- EC Number
- 994-268-4
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 363.3 · 363.3±44.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.13 · 8.13±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州明石新科生物科技有限公司13914069417 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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