Basic information
- CAS
5580-33-6- Standard SMILES
Cc1ccc(C(N)=O)cc1C- InChIKey
INGCXEIJXKQPJH-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Overview
3,4-Dimethylbenzamide is a member of benzamides.
Names & identifiers
- Preferred name
- 3,4-Dimethylbenzamide
- IUPAC
- 3,4-dimethylbenzamide
- English name
- 3,4-Dimethylbenzamide
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
3,4-DIMETHYLBENZAMIDE5580-33-6Benzamide, 3,4-dimethyl-UNII-1RMM93929W1RMM93929WDTXSID50274714RefChem:91208DTXCID70226174INGCXEIJXKQPJH-UHFFFAOYSA-NMFCD000529603.4-Dimethylbenzamid3,4-dimethyl-benzamide
Show more names
Compound Fr14128Benzamide, 3,4-dimethyl- (6CI,7CI,8CI,9CI)
A1AXDorb3170174SCHEMBL1002832SCHEMBL29503140CHEBI:194744Fr14128SBB086653AKOS008937490
Database identifiers
- CAS
5580-33-6- PubChem CID
- 21755
- DTXSID
DTXSID50274714- ChEBI
CHEBI:194744- UNII
- 1RMM93929W
- EC Number
- 676-613-8
- Nikkaji
- J3.102.755A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 101 · 101-103°C
- Boiling point
- 251.3 · 251.3±29.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 16.32 · 16.32±0.50(Predicted)
- CAS DataBase Reference
- 5580 · 5580-33-6(CAS DataBase Reference)
- FDA UNII
- 1 RMM93929W · 1RMM93929W
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2924297099 · 2924297099
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers21 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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