Basic information
- CAS
6393-42-6- Standard SMILES
Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1- InChIKey
MOOOPNRPJGZXPE-UHFFFAOYSA-N- Molecular formula
- C7H7N3O4
- Average molar mass
- 197.15 g/mol
- Monoisotopic mass
- 197.0436557
Names & identifiers
- Preferred name
- 4-Methyl-2,6-dinitroaniline
- IUPAC
- 4-methyl-2,6-dinitroaniline
- English name
- 2,6-dinitro-p-toluidine
- Molecular formula
- C7H7N3O4
- Molecular weight
- 197.15
Names & synonyms
2,6-Dinitro-4-methylaniline4-Methyl-2,6-dinitroaniline6393-42-6p-Toluidine, 2,6-dinitro-Benzenamine, 4-methyl-2,6-dinitro-6QND65LK8KNSC-97354DTXSID70213726RefChem:83347DTXCID00136217229-004-22,6-DINITRO-P-TOLUIDINE
Show more names
4-Fluoro-2,6-dinitroaniline4-methyl-2,6-dinitro-aniline2,6-Dinitro-p-toluidine (NH2=1)
(4-methyl-2,6-dinitrophenyl)amine4-Amino-3,5-dinitrotolueneAniline, 2,6-dinitro-4-methyl-MFCD000071564-METHYL-2,6-DINITROBENZENAMINEEINECS 229-004-2NSC 97354BRN 2697699
Database identifiers
- CAS
6393-42-6- PubChem CID
- 22892
- DTXSID
DTXSID70213726- UNII
- 6QND65LK8K
- EC Number
- 229-004-2
- Nikkaji
- J48.077K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 171.5 °C · 171.5°C
- Boiling point
- 334.23 °C · 334.23°C (rough estimate)
- Density
- 1.5115 · 1.5115 (rough estimate)
- refractive index
- 1.586 · 1.5860 (estimate)
- pka
- -4.93 · -4.93±0.25(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 QND65LK8K · 6QND65LK8K
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 411 · H411-H315-H335-H373-H301+H311+H331-H319
- Precautionary statements
- 260 · P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
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+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, 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 & protection
Protective Action Criteria (PAC)
1.0 [mg/m3]
12 [mg/m3]
69 [mg/m3]
Safety data
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS06
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H411-H315-H335-H373-H301+H311+H331-H319
- Precautionary statements
- P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
南京代盟化工有限公司02566880956 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
5 records
Compound notes
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