Basic information
- CAS
70-25-7- Standard SMILES
CN(N=O)/C(N)=N/[N+](=O)[O-]- InChIKey
VZUNGTLZRAYYDE-UHFFFAOYSA-N- Molecular formula
- C2H5N5O3
- Average molar mass
- 147.09 g/mol
- Monoisotopic mass
- 147.03923904
Names & identifiers
- Preferred name
- 1-Methyl-2-nitro-1-nitrosoguanidine
- IUPAC
- 1-methyl-2-nitro-1-nitrosoguanidine
- English name
- 1-Methyl-3-nitro-1-nitrosoguanidine
- Molecular formula
- C2H5N5O3
- Molecular weight
- 147.09
Names & synonyms
1-methyl-2-nitro-1-nitrosoguanidineSCHEMBL566952AKOS006222319AKOS015900696M0527Q12263499MNNGMethylnitronitrosoguanidineMNG1-methyl-3-nitro-1-nitroso-guanidinN-methyl-N'-nitro-N-nitrosoguanidineTE85
Show more names
TE-85NA 1325nsc9369TE 85.T
Database identifiers
- CAS
70-25-7- PubChem CID
- 9562060
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 118 °C · 118°C (dec.)
- Boiling point
- 267.16 °C · 267.16°C (rough estimate)
- Density
- 1.7979 · 1.7979 (rough estimate)
- refractive index
- 1.641 · 1.6410 (estimate)
- storage temp.
- 0 · 0-6°C
- solubility
- almost transparency in hot Methanol
- form
- powder to crystal
- pka
- 3.09 · 3.09±0.50(Predicted)
- color
- Light yellow to Brown
- Water Solubility
- Reacts violently
- Merck
- 14 · 14,6103
- Henry's Law Constant
- 8.2 · 8.2×106 mol/(m3Pa) at 25℃, HSDB (2015)
- Stability
- Unstable. Reacts violently with water. May detonate under impact. Heat, light and moisture sensitive. May explode if stored in sealed ampules. Highly flammable. Incompatible with aqueous solutions, acids, bases, oxidizing agents, reducing agents. Alkaline hydrolysis releases toxic and explosive gases.
- InChIKey
- VZUNGTLZRAYYDE-UHFFFAOYSA-N
- CAS DataBase Reference
- 70 · 70-25-7(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 12 H3O2UGSF · 12H3O2UGSF
- Proposition 65 List
- N-Methyl-N'-nitro-N-nitrosoguanidine
- NIST Chemistry Reference
- Guanidine, n-methyl-n'-nitro-n-nitroso-(70-25-7)
- IARC
- 2 A · 2A (Vol. 4, Sup 7) 1987
- EPA Substance Registry System
- N-Methyl-N'-nitro-N-nitrosoguanidine (70-25-7)
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 228 · H228-H301-H315-H319-H332-H350-H411
- Precautionary statements
- 201 · P201-P202-P210-P240-P241-P261-P264-P270-P271-P273-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P308+P313-P391-P405-P501
- Hazard Codes
- T;N,N,T
- Risk Statements
- 45 · 45-20-36/38-51/53
- Safety Statements
- 53 · 53-45-61
- RIDADR
- 2926 · 2926
- RTECS
- 4200000 · MF4200000
- TSCA
- TSCA listed
- HS Code
- 2925.29 · 2925.29.9000
- HazardClass
- 4.1 · 4.1
- PackingGroup
- II
- Hazardous Substances Data
- 70 · 70-25-7(Hazardous Substances Data)
- Toxicity
- 50 oral · LD50 oral in rat: 90mg/kg
Safety & regulation
Safety data
- tsca
- TSCA listed
- rtecs
- MF4200000
- ridadr
- 2926
- hs_code
- 2925.29.9000
- Toxicity
- LD50 oral in rat: 90mg/kg
- risk_code
- 45-20-36/38-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS07,GHS08,GHS09
- hazard_code
- T;N,N,T
- safety_code
- 53-45-61
- hazard_class
- 4.1
- packing_group
- II
- Hazard statements
- H228-H301-H315-H319-H332-H350-H411
- Precautionary statements
- P201-P202-P210-P240-P241-P261-P264-P270-P271-P273-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P308+P313-P391-P405-P501
- Hazardous Substances Data
- 70-25-7(Hazardous Substances Data)
Chemistry & industry
Applications
UsesA DNA-damaging agent, used as a positive control in SHE cell transformation assays.
UsesExperimentally as carcinogen and mutagen. Formerly in preparation of diazomethane.
General DescriptionA yellow powder. Melting point 244°F. Decomposes above 212°F. A suspected carcinogen. Extremely hazardous as a mutagen. Avoid skin contact and inhalation of of vapors. Usually stored frozen (below 32°F) in polyethylene bottles that are tightly closed and contained in a metal can. May decomposed during prolonged storage and develop sufficient pressure in a closed container to explode. Keep away from heat, sparks, and open flame.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position
Related reactions
14 records
Compound notes
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