Basic information
- CAS
882670-69-1- Standard SMILES
Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1- InChIKey
HPNBWHDRLCVZFV-UHFFFAOYSA-N- Molecular formula
- C13H20BNO2
- Average molar mass
- 233.12 g/mol
- Monoisotopic mass
- 233.15870928
Names & identifiers
- Preferred name
- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- IUPAC
- 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- English name
- 5-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER
- Molecular formula
- C13H20BNO2
- Molecular weight
- 233.11
Names & synonyms
882670-69-14-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID80582076RefChem:294288DTXCID50532841623-049-55-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER5-Amino-2-methylphenylboronic acid pinacol esterMFCD05663859AKOS007930614AB21963(5-AMINO-2-METHYLPHENYL)BORONIC ACID PINACOL ESTER
Show more names
5-Amino-2-methylphenylboronic acid pinacol ester 97%4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anil...4,4,5,5-TetraMethyl-2-(5-aMino-2-Methylphenyl)-1,3,2-dioxaborolane4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamineBenzenamine, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen 5-amino-2-methylphenylboronate5-Amino-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenamine
CS-00306104-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENAMINE5-Amino-2-methylphenylboronic acid pinacol ester, 97%Z2044807984SCHEMBL3935945-AMINO-2-METHYLPHENYLBORONICACID,PINACOLESTERSCHEMBL294272664-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Properties
Computed structural properties
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 82 · 82-86°C
- Boiling point
- 366.2 · 366.2±35.0 °C(Predicted)
- Density
- 1.03 · 1.03
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 5.01 · 5.01±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C13H20BNO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
- InChIKey
- HPNBWHDRLCVZFV-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1
- UNSPSC Code
- 12352103 · 12352103
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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)
Aggregated GHS information provided per 43 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- hs_code
- 2931900090
- risk_code
- 36/37/38-38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers93 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安特希（苏州）生物科技有限公司19951207836
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
21 records
Compound notes
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