Basic information
- CAS
145349-62-8- Standard SMILES
Cc1ccc(B(O)O)c(Cl)c1- InChIKey
UKYCKUPXBPLXBA-UHFFFAOYSA-N- Molecular formula
- C7H8BClO2
- Average molar mass
- 170.4 g/mol
- Monoisotopic mass
- 170.03058758
Names & identifiers
- Preferred name
- (2-Chloro-4-methylphenyl)boronic acid
- IUPAC
- (2-chloro-4-methylphenyl)boronic acid
- English name
- 2-Chloro-4-methylphenylboronic acid
- Molecular formula
- C7H8BClO2
- Molecular weight
- 170.4
Names & synonyms
(2-chloro-4-methylphenyl)boronic acidRefChem:395614681-068-42-Chloro-4-methylphenylboronic acid145349-62-8MFCD03411936BORONIC ACID, B-(2-CHLORO-4-METHYLPHENYL)-2-Chloro-4-methylphenylboronicacidGS-6465HY-329152-Chloro-4-methylphenylboronic acid, AldrichCPR(2-chloro-4-methyl-phenyl)boronic Acid
Show more names
AKOS BRN-07154-Borono-3-chlorotoluene2-Chloro-p-tolylboronic acid2-Chloro-4-MethylphenylboronicBoronic acid,B-(2-chloro-4-methylphenyl)-Boronicacid, (2-chloro-4-methylphenyl)- (9CI)2-Chloro-4-methylphenylboronic acid - [C2224]2-CHLORO-4-METHYLPHENYLBORONIC ACID PINACOL ESTER
Boronic acid, (2-chloro-4-methylphenyl)-BCP136732-Chloro-4-methylbenzeneboronic acidA808352SCHEMBL340177orb2940043SCHEMBL29825506DTXSID70378384
Database identifiers
- CAS
145349-62-8- PubChem CID
- 2773334
- DTXSID
DTXSID70378384- EC Number
- 681-068-4
- Nikkaji
- J3.267.110A
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 190 · 190-194°C
- Boiling point
- 316.8 · 316.8±52.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- pka
- 8.55 · 8.55±0.58(Predicted)
- color
- White to Almost white
- InChI
- 1S/C7H8BClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
- InChIKey
- UKYCKUPXBPLXBA-UHFFFAOYSA-N
- SMILES
- Cc1ccc(B(O)O)c(Cl)c1
- CAS DataBase Reference
- 145349 · 145349-62-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- 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
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 45 reports by companies from 5 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
- wgk
- WGK 3
- hs_code
- 29319090
- risk_code
- 36/37/38-20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36-37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
8 records
Compound notes
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