N,N-Dimethylbenzamide

HCID 11916
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Basic information

CAS
611-74-5
Standard SMILES
CN(C)C(=O)c1ccccc1
InChIKey
IMNDHOCGZLYMRO-UHFFFAOYSA-N
Molecular formula
C9H11NO
Average molar mass
149.19 g/mol
Monoisotopic mass
149.08406397

Names & identifiers

Preferred name
N,N-Dimethylbenzamide
IUPAC
N,N-dimethylbenzamide
English name
N,N-Dimethylbenzamide
Molecular formula
C9H11NO
Molecular weight
149.19

Names & synonyms

N,N-DIMETHYLBENZAMIDE611-74-5DimethylbenzamideBenzamide, N,N-dimethyl-MX2VX9MH4TAI3-01462NSC-10996DTXSID4060602RefChem:822586DTXCID9042966210-279-2NN-Dimethylbenzamide
Show more names
1N1&VRN,N-Dimethylbenzamin,n-dimethyl-benzamidN,N-Dimethyl BenzmideLABOTEST-BB LT00793055BenzaMide,N,N-diMethyl-N,N-Dimethylbenzamide98%
MFCD00008320EINECS 210-279-2NSC 10996Dimethylbenzmiden-dimethylbenzamideDMBZN,N-dimetyl-benzamideN,N-Dimethyl benzamide

Database identifiers

CAS
611-74-5
PubChem CID
11916
DTXSID
DTXSID4060602
ChEMBL
CHEMBL453210
UNII
MX2VX9MH4T
EC Number
210-279-2
Nikkaji
J47.670F

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.2
Vapor Pressure0.00887 [mmHg]
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
43 · 43-45 °C (lit.)
Boiling point
132 · 132-133 °C/15 mmHg (lit.)
Density
1.0753 · 1.0753 (rough estimate)
refractive index
1.5279 · 1.5279 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C(protect from light)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24052
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Benzamide.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
CV4500000
hs_code
29242990
risk_code
22-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, N,N-dimethyl-: ACTIVE
Applications · 2 items

UsesReagent for deoxygenation of secondary alcohols.

General DescriptionN,N-Dimethylbenzamide is a hydrotropic agent and its ability to solubilize drugs with low aqueous solubility has been investigated. It reacts with PhLnI complexes (Ln-Eu, Sm, Yb) to yield benzophenone in good yields. Deuterium exchange labelling experimets on N,N-dimethylbenzamide using [IrH2(Me2CO)2(PPh3)2]BF4 as catalyst and deuterium gas as the source of isotope has been conducted.

Preparation methods · 1 item

PreparationUsing Cu2O as a catalyst, o-phenanthroline as a ligand, and oxygen as an oxidant, phenylacetonitrile, N,N-dimethylformamide (DMF), and iodobenzene as reactants, a one-pot process can be used to simultaneously carry out amidation and cyanation reactions to generate the target products N,N-dimethylbenzamide and benzonitrile, with yields of 85% and 75%, respectively.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

63 records
New reaction record

Compound notes

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