1,3-Propanediol,2,2-dinitro

Modify Date: 2026-08-22 18:38:25

1,3-Propanediol,2,2-dinitro Structure
1,3-Propanediol,2,2-dinitro structure
 Common Name 1,3-Propanediol,2,2-dinitro
CAS Number 2736-80-3 Molecular Weight 166.09000
Density 1.683g/cm3 Boiling Point 367ºC at 760 mmHg
Molecular Formula C3H6N2O6 Melting Point N/A
MSDS N/A Flash Point 173.3ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,2-dinitropropane-1,3-diol
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.683g/cm3
Boiling Point 367ºC at 760 mmHg
Molecular Formula C3H6N2O6
Molecular Weight 166.09000
Flash Point 173.3ºC
Exact Mass 166.02300
PSA 132.10000
Vapour Pressure 7.08E-07mmHg at 25°C
Index of Refraction 1.541
InChIKey IUKKSAGYDLAHGF-UHFFFAOYSA-N
SMILES O=[N+]([O-])C(CO)(CO)[N+](=O)[O-]

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY6305000
CHEMICAL NAME :
1,3-Propanediol, 2,2-dinitro-
CAS REGISTRY NUMBER :
2736-80-3
BEILSTEIN REFERENCE NO. :
1782070
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C3-H6-N2-O6
MOLECULAR WEIGHT :
166.11
WISWESSER LINE NOTATION :
WNXNW1Q1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
76 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 11(1),73,1977

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2905590090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

2-(Hydroxymethyl)-2-nitropropan-1,3-diol structure

2-(Hydroxymethy...

CAS#:126-11-4

~35%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Garver, Lee C.; Grakauskas, V.; Baum, Kurt Journal of Organic Chemistry, 1985 , vol. 50, # 10 p. 1699 - 1702
2-Nitro-1,3-propanediol structure

2-Nitro-1,3-pro...

CAS#:1794-90-7

~%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Garver, Lee C.; Grakauskas, V.; Baum, Kurt Journal of Organic Chemistry, 1985 , vol. 50, # 10 p. 1699 - 1702
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

1,1,4,4-tetranitro-2,3-butanediol structure

1,1,4,4-tetrani...

CAS#:78800-72-3

~76%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Fedorov, B.S.; Golovina, N.I.; Barinova, L.S.; Arakcheeva, V.V.; Lagodzinskaya, G.V.; et al. Bull. Russ. Acad. Sci. Div. Chem. Sci. (Engl. Transl.), 1992 , vol. 41, # 12.2 p. 2755 - 2759,2185 - 2188
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

~%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Feuer et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 1360
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

nitromethane structure

nitromethane

CAS#:75-52-5

~%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Borgardt,F.G. et al. Journal of Organic Chemistry, 1966 , vol. 31, p. 2806 - 2811
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

1,1,2,2-tetranitroethane structure

1,1,2,2-tetrani...

CAS#:4480-10-8

~33%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Nekrasova, G. V.; Lipina, E. S.; Zagibalova, L. Ya.; Perekalin, V. V. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 4 p. 619 - 623 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 4 p. 711 - 716
Fluorotrinitromethane structure

Fluorotrinitrom...

CAS#:1840-42-2

~60%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

2-Fluoro-2,2-dinitroethanol structure

2-Fluoro-2,2-di...

CAS#:17003-75-7

Learn More
Literature: Gmelin Handbook: F: PerFHalOrg.8, 2.4, page 2 - 54
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

dibromo(dinitro)methane structure

dibromo(dinitro...

CAS#:2973-00-4

~%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Fridman,A.L. et al. Journal of Organic Chemistry USSR (English Translation), 1967 , vol. 3, p. 1485 - 1486 Zhurnal Organicheskoi Khimii, 1967 , vol. 3, p. 1529 - 1530 Full Text Show Details Fridman,A.L. et al. Zhurnal Organicheskoi Khimii, 1969 , vol. 5, p. 980 - 985,966 - 970
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

tetranitromethane structure

tetranitromethane

CAS#:509-14-8

~%

1,3-Propanediol,2,2-dinitro Structure

1,3-Propanediol...

CAS#:2736-80-3

Learn More
Literature: Fridman,A.L. et al. Zhurnal Organicheskoi Khimii, 1969 , vol. 5, p. 980 - 985,966 - 970

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2905590090
Summary 2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1,3-Propanediol,2,2-dinitro
2,2-dinitro-propane-1,3-diol
EINECS 220-360-4
1,2,2-dinitro
2,2-dinitro-1,3-propane diol
2,2-Dinitro-propan-1,3-diol

 1,3-Propanediol,2,2-dinitro | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 2,2-dinitropropane-1,3-diol?
A: InChIKey of 2,2-dinitropropane-1,3-diol is IUKKSAGYDLAHGF-UHFFFAOYSA-N.
Q: What is the boiling point of 2,2-dinitropropane-1,3-diol?
A: Boiling point of 2,2-dinitropropane-1,3-diol is 367ºC at 760 mmHg.
Q: What is the polar surface area (PSA) of 2,2-dinitropropane-1,3-diol?
A: Polar surface area (PSA) of 2,2-dinitropropane-1,3-diol is 132.10000.
Q: What is the Chinese name of 2736-80-3?
A: Chinese name of 2736-80-3 is 2736-80-3.
Q: What English synonyms does 2,2-dinitropropane-1,3-diol have?
A: English synonyms of 2,2-dinitropropane-1,3-diol: 1,3-Propanediol,2,2-dinitro, 2,2-dinitro-propane-1,3-diol, EINECS 220-360-4, 1,2,2-dinitro, 2,2-dinitro-1,3-propane diol, 2,2-Dinitro-propan-1,3-diol.
Q: What is the SMILES notation of 2,2-dinitropropane-1,3-diol?
A: SMILES notation of 2,2-dinitropropane-1,3-diol is O=[N+]([O-])C(CO)(CO)[N+](=O)[O-].
Q: What are the upstream materials of 2,2-dinitropropane-1,3-diol?
A: Related upstream materials(CAS) of 2,2-dinitropropane-1,3-diol: 126-11-4;1794-90-7;50-00-0;78800-72-3;75-52-5;4480-10-8;1840-42-2;2973-00-4;509-14-8.
Q: What is the CAS number of 2,2-dinitropropane-1,3-diol?
A: CAS number of 2,2-dinitropropane-1,3-diol is 2736-80-3.
Q: What are the downstream products of 2,2-dinitropropane-1,3-diol?
A: Related downstream products(CAS) of 2,2-dinitropropane-1,3-diol: 29609-98-1;36235-44-6;36235-42-4;34924-01-1;1587-41-3;81360-42-1;4776-97-0;5086-75-9.
Q: What is the English name of 2,2-dinitropropane-1,3-diol?
A: The English name of 2,2-dinitropropane-1,3-diol is 2,2-dinitropropane-1,3-diol.

 1,3-Propanediol,2,2-dinitrofactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.
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