Basic information
- CAS
37777-90-5- Standard SMILES
O=C(O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-]- InChIKey
NIBVBDGBJQMRNF-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO4
- Average molar mass
- 250.03 g/mol
- Monoisotopic mass
- 248.959563
Names & identifiers
- Preferred name
- 2-(4,5-Dichloro-2-nitrophenyl)acetic acid
- IUPAC
- 2-(4,5-dichloro-2-nitrophenyl)acetic acid
- English name
- 2-(4,5-Dichloro-2-nitrophenyl)acetic acid
- Molecular formula
- C8H5Cl2NO4
- Molecular weight
- 250.04
Names & synonyms
2-(4,5-dichloro-2-nitrophenyl)acetic acid37777-90-5C8H5Cl2NO4MFCD07366549(4,5-dichloro-2-nitrophenyl)acetic acidNSC548522-nitro-4,5-dichlorophenylacetic acid4,5-dichloro-2-nitrophenylacetic acidSCHEMBL5631882DTXSID50958825NIBVBDGBJQMRNF-UHFFFAOYSA-NNSC-54852
Show more names
Dichloronitrophenylaceticacid2-(4,5-dichloro-2-nitrophenyl)acetate4,5-Dichloro-2-nitro-benzeneacetic acidBenzeneacetic acid, 4,5-dichloro-2-nitro-DICHLORONITROPHENYLACETICACID 2-(4,5-DICHLORO-2-NITROPHENYL)ACETIC ACID
SBB1006802-nitro4,5-dichlorophenylacetic acidAKOS000279227AKOS005166843AKOS0407649094,5-Dichloro-2-nitro-phenylacetic acid2-(4,5-dichloro-2-nitrophenyl)aceticacidDB-019428
Database identifiers
- CAS
37777-90-5- PubChem CID
- 244198
- DTXSID
DTXSID50958825- Nikkaji
- J1.887.506C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 127 · 127-130°
- Boiling point
- 388 · 388.0±37.0 °C(Predicted)
- Density
- 1.638 · 1.638±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3 · 3+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
武汉德克瑞生物医药科技有限公司027-69573188 18221423799 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
Loading…