compound introduction
4-(二甲基氨基)苯甲醛是苯甲醛类化合物，即苯甲醛在 4 位带有二甲基氨基取代基。用作吲哚和肼的检测指示剂。它是一种发色化合物。它是苯甲醛类、取代苯胺和叔胺化合物的成员。
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4-(dimethylamino)benzaldehyde
Dangerous GoodsCAS number：100-10-7 molecular formula：C9H11NO
overview
Specs
| Chinese alias | 4-二甲氨基苯甲醛 | 对二甲替氨基苯甲醛 | N,N-二甲基-4-氨基苯甲醛 | 对二甲氨基苯甲醛 | Ehrlich 试剂 | 4-N,N-二甲氨基苯甲醛 | ||
| English alias | p-Formyl-N,N-dimethylaniline | Ehrlich's reagent | 4-Dimethylaminobenzaldehyde | 4-(DIMETHYLAMINO)BENZALDEHYDE | p-Dimethylaminobenzaldehyde | Benzaldehyde, 4-(dimethylamino)- | p-(Dimethylamino)benzaldehyde | p-Formyldimethylaniline | ||
| CAS number | 100-10-7 | molecular formula | C9H11NO |
| molecular weight | 149.19 | Exact mass | AR |
| PSA | 20.3 | logp | 1.8 |
numbering system
| CAS | 100-10-7 |
| UNII | V7E88PR1YB |
| HMDB ID | HMDB0246303 |
| ChEBI ID | 91114 |
| Wikidata | Q1225737 |
| ChEMBL ID | CHEMBL3188333 |
| Wikipedia | Para-Dimethylaminobenzaldehyde |
| NSC Number | NSC Number: NSC5517 |
| AIDS Number | 019983 |
| PubChem CID | 7479 |
| Nikkaji Number | J4.002I |
| Pharos Ligand ID | 6WKTAZF87VCK |
| DSSTox Substance ID | DTXSID5021835 |
| Metabolomics Workbench ID | 130690 |
| European Community (EC) Number | 202-819-0 |
| PubChem Reference Collection SID | 500740856 |
| MEP ID | _25Q1B3APX |
physicochemical properties
| XLogP3 | 1.8 |
| Complexity | 126 |
| Exact Mass | 149.084063974 |
| Formal Charge | 0 |
| Melting Point | 74 °C |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Heavy Atom Count | 11 |
| Molecular Weight | 149.19 |
| Monoisotopic Mass | 149.084063974 |
| Isotope Atom Count | 0 |
| Physical Description | Solid; Unless extremely pure is lemon-colored possibly turning pink on light exposure; White crystalline solid; May be discolored by light and air; [Sigma-Aldrich MSDS] |
| Rotatable Bond Count | 2 |
| Kovats Retention Index | Standard polar: 2459 |
| Collision Cross Section | 129.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5021835] |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 20.3 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Adverse Effects：
Neurotoxin - Other CNS neurotoxin
Hazards Summary：
Causes general anesthesia, somnolence, and ataxia in oral and intraperitoneal lethal-dose studies of mice; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Benzaldehyde and N,N-Dimethyl-p-toluidine.
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: p-Dimethylaminobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Aquatic Chronic 2 (79.7%)
Protective Action Criteria (PAC)：
PAC-3: 250 [mg/m3]
Production methods and uses
purpose
Uses：
Sources/Uses: Used as a reagent and to make dyes
Industry Uses：
Dye
General Manufacturing Information：
Industry Processing Sectors: Synthetic Dye and Pigment Manufacturing
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
