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

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Names

[ CAS No. ]:
126-11-4

[ Name ]:
2-(Hydroxymethyl)-2-nitropropan-1,3-diol

[Synonym ]:
Trimethylolnitromethane
2-Hydroxymethyl-2-nitro-1,3-propanediol
1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
2-(Hydroxymethyl)-2-nitro-1,3-propanediol
TRIHYDROXYMETHYLNITROMETHANE
EINECS 204-769-5
2-HYDROXYMETHYL-2-NITRO-PROPANE-1,3-DIOL
2-(hydroxymethyl)-2-nitropropane-1,3-diol
TRIS (HYDROXY METHYL) NITROMETHANE
1,3-Propanediol, 2- (hydroxymethyl)-2-nitro-
2-(Hydroxymethyl)-2-nitropropan-1,3-diol
TRIS(HYDROXYMETHYL) NITROMETHANE
MFCD00007395
tris(Hydroxymethyl)nitromethane (Tris Nitro)
Tris(hydroxymethyl)nitromethan

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
445.6±45.0 °C at 760 mmHg

[ Melting Point ]:
160 °C (dec.)(lit.)

[ Molecular Formula ]:
C4H9NO5

[ Molecular Weight ]:
151.118

[ Flash Point ]:
209.3±17.2 °C

[ Exact Mass ]:
151.048065

[ PSA ]:
106.51000

[ LogP ]:
0.35

[ Vapour Pressure ]:
0.0±2.4 mmHg at 25°C

[ Index of Refraction ]:
1.536

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY7350000
CHEMICAL NAME :
1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
CAS REGISTRY NUMBER :
126-11-4
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C4-H9-N-O5
MOLECULAR WEIGHT :
151.14
WISWESSER LINE NOTATION :
WNX1Q1Q1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 39,56,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,1198,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4 gm/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 :
250 mg/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 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3866 No. of Facilities: 237 (estimated) No. of Industries: 6 No. of Occupations: 13 No. of Employees: 4196 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3866 No. of Facilities: 709 (estimated) No. of Industries: 16 No. of Occupations: 20 No. of Employees: 20046 (estimated) No. of Female Employees: 609 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TY7350000

[ HS Code ]:
2905590090

Synthetic Route

Precursor & DownStream

Precursor

  • nitromethane
  • methanol with formaldehyde
  • Formaldehyde
  • N-(2-iodobenzyl)-1-(2-iodophenyl)-N,N-dimethylmethanaminium bromide
  • 2-Propanol, 1-nitro-
  • 2-Nitro-1,3-propanediol
  • Cyclohexanol,1-(nitromethyl)-
  • bronopol
  • 4-nitrosotoluene

DownStream

  • Tribromonitromethane
  • bronopol
  • hydroxy-[2-nitro-3-nitrooxy-2-(nitrooxymethyl)propoxy]-oxoazanium
  • 4-nitro-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
  • Trometamol
  • 2-Methyl-2-nitropropan-1-ol
  • 2-Amino-2-methyl-1,3-propanediol
  • (3-tert-butyl-5-nitro-1,3-oxazinan-5-yl)methanol
  • 2-Nitro-1,3-propanediol
  • 1,3-dichloro-2-(chloromethyl)prop-1-ene

Customs

[ 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%

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Related Compounds

  • 2-(hydroxymethyl)-2-methylpropane-1,3-diol,2-(prop-2-enoxymethyl)oxirane
  • 2-(hydroxymethyl)-2-methylpropane-1,3-diol,trihydrate
  • 2-(HYDROXYMETHYL)-2-PHENYLPROPANE-1,3-DIOL
  • 2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13
  • 2-hydroxymethyl-2-methyl-pentane-1,3-diol
  • 2-(hydroxymethyl)-2-methyl-propane-1,3-diol tetrahydrate
  • 4-cyclohexylsulfonylpiperidine
  • (R)-tert-butyl (1-((2,4-dichloropyrimidin-5-yl)methyl)pyrrolidin-3-yl)carbamate
  • methyl 3-(4-piperidylsulfonyl)propanoate
  • (R)-tert-butyl (1-((6-bromopyridin-3-yl)methyl)pyrrolidin-3-yl)carbamate
  • 4-(2-isobutylsulfanylethyl)piperidine
  • (R)-tert-butyl (1-((6-chloropyridin-3-yl)methyl)pyrrolidin-3-yl)carbamate
  • (R)-tert-butyl (1-((6-chloropyridazin-3-yl)methyl)pyrrolidin-3-yl)carbamate
  • 4-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine
  • methyl 2-[2-(4-piperidyl)ethylsulfanyl]acetate
  • 4-(2-tert-butylsulfanylethyl)piperidine
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