Basic information
- CAS
177735-11-4- Standard SMILES
Cc1cscc1B(O)O- InChIKey
LVPFZXKLROORIK-UHFFFAOYSA-N- Molecular formula
- C5H7BO2S
- Average molar mass
- 141.99 g/mol
- Monoisotopic mass
- 142.02598086
Names & identifiers
- Preferred name
- 4-Methyl-3-thiopheneboronic acid
- IUPAC
- (4-methylthiophen-3-yl)boronic acid
- English name
- 4-Methyl-3-thiopheneboronic acid
- Molecular formula
- C5H7BO2S
- Molecular weight
- 141.98
Names & synonyms
4-Methyl-3-thiopheneboronic acid177735-11-4DTXSID30408156RefChem:525273DTXCID80359008846-629-1(4-methylthiophen-3-yl)boronic Acidboronic acid, b-(4-methyl-3-thienyl)-MFCD040398824-Methylthiophene-3-boronic acid(4-methyl-3-thienyl)boronic acid4-Methyl-3-thienylboronic acid
Show more names
4-Methyl-3-thiopheneboronicaci(4-Methylthien-3-yl)boronic acid4-Methyl-3-thiopheneboronic acid, 98%(4-Methylthiophen-3-yl)dihydroxyborane4-Methyl-3-thienylboronic acid (contains varying amounts of Anhydride)
4-methylthiophen-3-ylboronic acidBoronic acid, (4-methyl-3-thienyl)-SCHEMBL2005134-Methyl-3-thiopheneboronicacidLVPFZXKLROORIK-UHFFFAOYSA-N4-methyl-thiophene 3-boronic acid4-methyl-thiophene-3-boronic acid4-Methyl 3-thiophene boronic acid
Database identifiers
- CAS
177735-11-4- PubChem CID
- 5083931
- DTXSID
DTXSID30408156- EC Number
- 846-629-1
Properties
Computed structural properties
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Melting point
- 138 · 138-144 °C(lit.)
- Boiling point
- 302.1 · 302.1±44.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 8.33 · 8.33±0.58(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 2934999090 · 2934999090
Safety & regulation
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.
Safety data
- wgk
- 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers57 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安徽合诺生物科技有限公司0555-2761852
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
北京伊诺凯科技有限公司15652467323 · [email protected]
Related reactions
58 records
Compound notes
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