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3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

HCID 44119094
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1073354-66-1
Standard SMILES
Cc1cc(C=O)ccc1B1OC(C)(C)C(C)(C)O1
InChIKey
JUFVNKBJTLKQGA-UHFFFAOYSA-N
Molecular formula
C14H19BO3
Average molar mass
246.11 g/mol
Monoisotopic mass
246.1427246

Names & identifiers

Preferred name
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
IUPAC
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
English name
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Molecular formula
C14H19BO3
Molecular weight
246.11

Names & synonyms

1073354-66-13-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde4-FORMYL-2-METHYLPHENYLBORONIC ACID PINACOL ESTERMFCD086695834-Formyl-2-methylphenylboronic acid pinacol este3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehydeSCHEMBL12499900SCHEMBL29976409DTXSID40657032JUFVNKBJTLKQGA-UHFFFAOYSA-NAKOS016001328BENZALDEHYDE, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
Show more names
4-FORMYL-2-METHYLPHENYL BORONIC ACID PINACOL ESTER
BS-23127SY422541CS-0174813D71487EN300-73665424-Formyl-2-methylbenzeneboronic acid pinacol esterF2190534-Formyl-2-methylbenzeneboronic acid, pinacol ester

Database identifiers

CAS
1073354-66-1
PubChem CID
44119094

Properties

Computed structural properties

Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
311

Physicochemical properties

Boiling point
358.7 · 358.7±35.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
303 · H303-H320
Precautionary statements
312 · P312-P264-P305+P351+P338-P337+P313
Hazard Codes
Xi
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.

Safety data

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
Hazard statements
H303-H320
Precautionary statements
P312-P264-P305+P351+P338-P337+P313

Chemistry & industry

Applications

Uses4-Formyl-2-methylphenylboronic acid pinacol ester

Suppliers38 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[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86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
成都安斯利生物医药有限公司028-85305008 02885305008 · [email protected]
南京代盟化工有限公司

Related reactions

8 records
New reaction record
HRID 193332 reaction equation
HRID 193332As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1204668 reaction equation
HRID 1204668As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1501668 reaction equation
HRID 1501668As reactantuspto-grants-2015_12
HRID 1530281 reaction equation
HRID 1530281As reactantuspto-grants-2015_07
HRID 1616444 reaction equation
HRID 1616444As reactantuspto-grants-2014_07
HRID 1854115 reaction equation
HRID 1854115As reactantuspto-grants-2015_02
HRID 1909297 reaction equation
HRID 1909297As reactantuspto-grants-2013_12
HRID 1959254 reaction equation
HRID 1959254As reactantuspto-grants-2013_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID40657032
025-66800956 18800000000 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
Shanghai Scochem Technology Co., Ltd+86-021-33758897 +86-13701882790 · [email protected]
镇江博润生物医药科技有限公司15862994627 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
苏州浩恒新材料有限公司15052381896; 15052381896 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
苏州明石新科生物科技有限公司13914069417 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Chengdu Aslee Biopharmaceuticals, Inc.28-85305008
常州吉瑞化学有限公司0519-85131335 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]