Basic information
- CAS
913836-15-4- Standard SMILES
Cc1nc(Cl)ccc1B(O)O- InChIKey
WEKRUIAZOLIAOG-UHFFFAOYSA-N- Molecular formula
- C6H7BClNO2
- Average molar mass
- 171.39 g/mol
- Monoisotopic mass
- 171.02583654
Names & identifiers
- Preferred name
- 6-Chloro-2-methylpyridine-3-boronic acid
- IUPAC
- (6-chloro-2-methyl-3-pyridinyl)boronic acid
- English name
- 6-Chloro-2-methylpyridine-3-boronic acid
- Molecular formula
- C6H7BClNO2
- Molecular weight
- 171.39
Names & synonyms
6-CHLORO-2-METHYLPYRIDINE-3-BORONIC ACIDRefChem:541561691-024-6913836-15-4(6-Chloro-2-methylpyridin-3-yl)boronic acid6-CHLORO-2-METHYL-3-PYRIDINEBORONIC ACID6-chloro-2-methylpyridin-3-ylboronic acidMFCD073688756-Chloro-2-methylpyridine-3-boronic(6-CHLORO-2-METHYL-3-PYRIDYL)BORONIC ACIDBoronicacid, B-(6-chloro-2-methyl-3-pyridinyl)-6-CHLORO-2-PICOLINE-3-BORONIC ACID
Show more names
6-Chloro-2-Methylpyridine-3-BoronicAci(6-Chloro-2-methyl-3-pyridinyl)boronic acid6-Chloro-2-methylpyridine-3-boronic acid 98%
b-(6-chloro-2-methyl-3-pyridinyl)boronic acidboronic acid, b-(6-chloro-2-methyl-3-pyridinyl)-SCHEMBL1937542Boronicacid, B-(6-chloro-2-SCHEMBL29911929DTXSID40657052WEKRUIAZOLIAOG-UHFFFAOYSA-N6-Chloro-2-picoline-3-boronicacid
Database identifiers
- CAS
913836-15-4- PubChem CID
- 44119152
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 154 · 154-156
- Boiling point
- 336.6 · 336.6±52.0 °C(Predicted)
- Density
- 1.34 · 1.34
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 6.77 · 6.77±0.58(Predicted)
- form
- solid
- color
- Beige
- InChI
- 1S/C6H7BClNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3
- InChIKey
- WEKRUIAZOLIAOG-UHFFFAOYSA-N
- SMILES
- CC1=NC(Cl)=CC=C1B(O)O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
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)
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
- wgk
- WGK 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers81 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司
Related reactions
4 records
Compound notes
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