Basic information
- CAS
1187190-70-0- Standard SMILES
OB1OCc2cc(O)ccc21- InChIKey
GEQGETTVGJBBOI-UHFFFAOYSA-N- Molecular formula
- C7H7BO3
- Average molar mass
- 149.94 g/mol
- Monoisotopic mass
- 150.04882448
Names & identifiers
- Preferred name
- 1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol
- IUPAC
- 1-hydroxy-3H-2,1-benzoxaborol-5-ol
- English name
- benzo[c][1,2]oxaborole-1,5(3H)-diol
- Molecular formula
- C7H7BO3
- Molecular weight
- 149.94
Names & synonyms
1187190-70-01,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-olRefChem:218572Benzo[c][1,2]oxaborole-1,5(3H)-diol1,3-dihydro-2,1-benzoxaborole-1,5-diol1-hydroxy-3H-2,1-benzoxaborol-5-olMFCD223935817WQ62YML7D2,1-Benzoxaborol-5-ol, 1,3-dihydro-1-hydroxy-2,1-Benzoxaborole-1,5(3H)-diolBenzo(C)(1,2)oxaborole-1,5(3H)-diolBenzo(C)(1,2)oxabo
Show more names
RMA-132Crisaborole-019benzo[c][1,2]oxaborol-1,5(3H)-diol
UNII-7WQ62YML7DSCHEMBL564786orb1990665GEQGETTVGJBBOI-UHFFFAOYSA-NDTXSID401262259TQ0237AKOS030238856PB39746
Database identifiers
- CAS
1187190-70-0- PubChem CID
- 57968699
- DTXSID
DTXSID401262259- UNII
- 7WQ62YML7D
- EC Number
- 964-090-1
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 156 · 156-159°C
- Boiling point
- 328.6 · 328.6±52.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.95 · 6.95±0.20(Predicted)
- color
- White
- FDA UNII
- 7 WQ62YML7D · 7WQ62YML7D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol is used as a reagent in the synthesis of P4-benzoxaborole-substituted macrocyclic inhibitors of HCV NS3 protease.
Upstream & downstream products
Downstream products
Suppliers49 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
Related reactions
46 records
Compound notes
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