Basic information
- CAS
64993-07-3- Standard SMILES
Nc1cc2c(cc1[N+](=O)[O-])OCO2- InChIKey
TXZJXBGDLONQGP-UHFFFAOYSA-N- Molecular formula
- C7H6N2O4
- Average molar mass
- 182.13 g/mol
- Monoisotopic mass
- 182.03275668
Names & identifiers
- Preferred name
- 6-Nitro-1,3-benzodioxol-5-amine
- IUPAC
- 6-nitro-1,3-benzodioxol-5-amine
- English name
- 6-Nitro-1,3-benzodioxol-5-amine
- Molecular formula
- C7H6N2O4
- Molecular weight
- 182.13
Names & synonyms
6-Nitro-1,3-benzodioxol-5-amine64993-07-3DTXSID20345208RefChem:309147DTXCID802962826-nitro-2H-1,3-benzodioxol-5-amine6-nitrobenzo[d][1,3]dioxol-5-amineMFCD00184722(6-Nitro-1,3-benzodioxol-5-yl)amine5-amino-6-nitro-1,3-benzodioxoleMLS000416366SMR000264114
Show more names
1,3-Benzodioxol-5-amine,6-nitro-6-NITRO-BENZO(1,3)DIOXOL-5-YLAMINE
F0239-0652Oprea1_632288cid_602665SCHEMBL1625389CHEMBL1320367SCHEMBL30581427BDBM50440CHEBI:105721
Database identifiers
- CAS
64993-07-3- PubChem CID
- 602665
- DTXSID
DTXSID20345208- ChEMBL
CHEMBL1320367- ChEBI
CHEBI:105721- EC Number
- 101-443-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 199 °C · 199 °C
- Boiling point
- 370.7 · 370.7±42.0 °C(Predicted)
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.57 · 0.57±0.20(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HazardClass
- IRRITANT
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Suppliers13 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Additional notes
Related reactions
18 records
Compound notes
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