Basic information
- CAS
919355-30-9- Standard SMILES
COc1c(F)ccc(F)c1B(O)O- InChIKey
AXJIPGDXAIMBDX-UHFFFAOYSA-N- Molecular formula
- C7H7BF2O3
- Average molar mass
- 187.94 g/mol
- Monoisotopic mass
- 188.0456306
Names & identifiers
- Preferred name
- (3,6-Difluoro-2-methoxyphenyl)boronic acid
- IUPAC
- (3,6-difluoro-2-methoxyphenyl)boronic acid
- English name
- 3,6-DIFLUORO-2-METHOXYPHENYLBORONIC ACID
- Molecular formula
- C7H7BF2O3
- Molecular weight
- 187.94
Names & synonyms
919355-30-9(3,6-Difluoro-2-methoxyphenyl)boronic acidDTXSID20582373RefChem:399405DTXCID70533138829-054-03,6-Difluoro-2-methoxyphenylboronic acid3,6-Difluoro-2-methoxybenzeneboronic acid(3,6-Difluoro-2-methoxy-phenyl)boronic acidMFCD118560093,6-Difluoro-2-methoxybenzene boronic acidB-(3,6-Difluoro-2-methoxyphenyl)boronic acid
Show more names
(3,6-Difluoro-2-methoxyphenyl)boronic acid - [D89282]
SCHEMBL14120431BORONIC ACID, B-(3,6-DIFLUORO-2-METHOXYPHENYL)-(3,6-Difluoro-2-methoxyphenyl)ULB35530AKOS006344039AS-39643SY410717(3,6-Difluoro-2-methoxyphenyl)boronicacid
Database identifiers
- CAS
919355-30-9- PubChem CID
- 16094232
- DTXSID
DTXSID20582373- EC Number
- 829-054-0
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 99 · 99-101 °C(Solv: water (7732-18-5); hexane (110-54-3))
- Boiling point
- 313.3 · 313.3±52.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- crystalline solid
- pka
- 7.32 · 7.32±0.58(Predicted)
- color
- White
- InChI
- InChI=1S/C7H7BF2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,11-12H,1H3
- InChIKey
- AXJIPGDXAIMBDX-UHFFFAOYSA-N
- SMILES
- B(C1=C(F)C=CC(F)=C1OC)(O)O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers21 total
常州稀亚生物科技有限公司13775267187 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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