Basic information
- CAS
4405-28-1- Standard SMILES
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)O- InChIKey
DOWIJKGYCPKWNC-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-5-nitrobenzoic acid
- IUPAC
- 2-(dimethylamino)-5-nitrobenzoic acid
- English name
- 2-(Dimethylamino)-5-nitrobenzoic acid
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
2-(dimethylamino)-5-nitrobenzoic acid4405-28-1DTXSID60384434RefChem:460789DTXCID30335458999-685-5MFCD015661512-dimethylamino-5-nitro-benzoic AcidBenzoic acid,2-(dimethylamino)-5-nitro-2-(DIMETHYLAMINO)-5-NITROBENZOICACIDOprea1_591499MLS000393594
Show more names
2-(Dimethylamino)-5-Nitrobenzoic Acid(WXC01478)
SCHEMBL3885646CHEMBL13311292-diMethylaMino-5-nitro-benzoateDOWIJKGYCPKWNC-UHFFFAOYSA-NHMS2536O14EAA40528STL3770982-dimethylamino-5-nitro benzoic acid
Database identifiers
- CAS
4405-28-1- PubChem CID
- 2804676
- DTXSID
DTXSID60384434- ChEMBL
CHEMBL1331129- EC Number
- 999-685-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Light yellow to yellow Solid
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers13 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]
南京环合生物科技有限公司18605270162 · [email protected]
武汉康盟医药科技有限公司15527333462 15527333462 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
7 records
Compound notes
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