Shanghai Nianxing Industrial Co., Ltd
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Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1,3-Propanediol,2-methyl-2-nitro-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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77-49-6

77-49-6 structure

77-49-6 structure

Name: 2-Methyl-2-Nitro-1,3-Propanediol
Chemical Name: 2-Methyl-2-Nitro-1,3-Propanediol
CAS Number: 77-49-6
Molecular Formula: C₄H₉NO₄
Molecular Weight: 135.119
Catalog: Chemical reagent Organic reagent Nitro compound
Create Date: 2018-12-25 18:23:24
Modify Date: 2026-07-07 14:06:43

Name	2-Methyl-2-Nitro-1,3-Propanediol
Synonyms	EINECS 201-031-4 1,1-Dimethylol-1-nitroethane MFCD00024812 2-Methyl-2-nitro-1,3-propanediol> 3-Propanediol,2-methyl-2-nitro-1 1,3-Propanediol, 2-methyl-2-nitro 2-Methyl-2-nitropropanediol 2-NITRO-2-METHYL-1,3-PROPANEDIOL 2-methyl-2-nitropropane-1,3-diol 2-Methyl-2-nitropropane-1,3-diol 2-methyl-2-nitropropan-1,3-diol Malic Acid Impurity 16 (Diglycolic Acid) 2-Methyl-2-nitro-1,3-propanediol 2-METHYL-2-NITRO-1,3-PROPANEDIOL Nitroisobutylglycol Bronopol Impurity 1 2-Nitro-2-Methyl-1,3-propanediol, R 2-methyl-2-nitro-3-propanediol

Density	1.3±0.1 g/cm3
Boiling Point	324.2±32.0 °C at 760 mmHg
Melting Point	147-149 °C
Molecular Formula	C₄H₉NO₄
Molecular Weight	135.119
Flash Point	153.3±13.6 °C
Exact Mass	135.053162
PSA	86.28000
LogP	0.14
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.491

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY8925000

CHEMICAL NAME :: 1,3-Propanediol, 2-methyl-2-nitro-

CAS REGISTRY NUMBER :: 77-49-6

BEILSTEIN REFERENCE NO. :: 1762621

LAST UPDATED :: 199709

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C4-H9-N-O4

MOLECULAR WEIGHT :: 135.14

WISWESSER LINE NOTATION :: WNX1&1Q1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 22,315,1940

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6300 uL/kg

TOXIC EFFECTS :: Skin and Appendages - dermatitis, allergic (after systemic exposure)

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 mL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 22,315,1940 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 180 mL/kg/13W-I

TOXIC EFFECTS :: Behavioral - muscle weakness Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948

Risk Phrases	R36/37/38
Safety Phrases	S24/25
RTECS	TY8925000

50-00-0 structure

50-00-0

79-24-3 structure

79-24-3

~70%

2902-96-7 structure

2902-96-7

77-49-6 structure

77-49-6

Literature: EP2468713 A1, ; Page/Page column 3-4 ;

79-24-3 structure

79-24-3

71481-64-6 structure

71481-64-6

~%

77-49-6 structure

77-49-6

Literature: WO2012/44508 A1, ; Page/Page column 15 ;

50-00-0 structure

50-00-0

79-24-3 structure

79-24-3

~%

77-49-6 structure

77-49-6

Literature: Roczniki Chemii, , vol. 31, p. 695,697 Chem.Abstr., , p. 5414

Precursor 3
50-00-0 79-24-3 71481-64-6
DownStream 10
25245-58-3 24395-58-2 6270-16-2 76-39-1
10359-57-6 115-69-5 17144-55-7 1194-36-1
65102-43-4 875-09-2

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