Basic information
- CAS
610-41-3- Standard SMILES
Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
IPZPZSUDOPUDPM-UHFFFAOYSA-N- Molecular formula
- C6H5N3O4
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 183.02800565
Names & identifiers
- Preferred name
- 3,4-Dinitroaniline
- IUPAC
- 3,4-dinitroaniline
- English name
- 3,4-DINITROANILINE
- Molecular formula
- C6H5N3O4
- Molecular weight
- 183.12
Names & synonyms
3,4-Dinitroaniline610-41-3DTXSID40209858RefChem:91230DTXCID90132349626-690-9Benzenamine, 3,4-dinitro-Aniline, 3,4-dinitro-MFCD004568113,4-dinitrobenzenamine3,4-dinitrophenylamine3.4-Dinitroaniline
Show more names
3,4-Dinitroaniline,97%3,4-Dinitroaminobenzene1-Amino-3,4-dinitrobenzene
SCHEMBL1254184AKOS015916305AKOS016007696PS-6135DB-053778CS-0204251ST50826866AE-848/34529004
Database identifiers
- CAS
610-41-3- PubChem CID
- 136407
- DTXSID
DTXSID40209858- EC Number
- 626-690-9
- Nikkaji
- J134.829I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 154 · 154-158 °C(lit.)
- Boiling point
- 71 °C · 71 °C(lit.)
- Density
- 1.376 g/mL · 1.376 g/mL at 25 °C(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 0.26 · 0.26±0.10(Predicted)
- color
- Beige to Brown
- CAS DataBase Reference
- 610 · 610-41-3(CAS DataBase Reference)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 373 · H373-H311-H331-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 1596 6.1/PG 2
- risk_code
- 23/24/25-33-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- hazard_code
- T,Xi
- safety_code
- 28-37-45-36/37-26
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H373-H311-H331-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Applications
Uses3,4-Dinitroaniline is a useful intermediate for the preparation of various industrially important chemicals like dyes, pestices, herbicides and other useful research chemicals.
Suppliers24 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司
Related reactions
7 records
Compound notes
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