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504-88-1

504-88-1 structure
504-88-1 structure
Name 3-nitropropanoic acid
Synonyms Propanoic acid, 3-nitro- (9CI)
Propanoic acid,3-nitro
Propanoic acid, 3-nitro-
Hiptagenic acid
3-Nitropropionate
Propionic acid,3-nitro
Bovinocidin
3-nitro propionic acid
RN 1 dihydrochloride
β-Nitropropionic acid
3-Nitropropionic acid
propionic acid, 3-nitro-
3-Nitropropanoic acid
β-Nitropropanoic acid
Density 1.4±0.1 g/cm3
Boiling Point 303.0±25.0 °C at 760 mmHg
Melting Point 68-70ºC(lit.)
Molecular Formula C3H5NO4
Molecular Weight 119.076
Flash Point 148.4±11.6 °C
Exact Mass 119.021858
PSA 83.12000
LogP -0.08
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.463
Stability Stable. Incompatible with strong oxidizing agents, bases, reducing agents.
Water Solubility alcohol: 100 mg/mL, may be light yellow

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UF6220000
CHEMICAL NAME :
Propionic acid, 3-nitro-
CAS REGISTRY NUMBER :
504-88-1
BEILSTEIN REFERENCE NO. :
1759889
LAST UPDATED :
199706
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C3-H5-N-O4
MOLECULAR WEIGHT :
119.09
WISWESSER LINE NOTATION :
WN2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
67 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
68100 ug/kg
TOXIC EFFECTS :
Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1870 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors Liver - tumors
TYPE OF TEST :
Specific locus test

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
50 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 196,61,1988
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301
Precautionary Statements Missing Phrase - N15.00950417
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T
Risk Phrases 25-36/37/38
Safety Phrases 26-45
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS UF6220000
Packaging Group III
Hazard Class 6.1(b)
HS Code 2915900090
58657-26-4 structure

58657-26-4

~96%

504-88-1 structure

504-88-1

Literature: COUNCIL OF SCIENTIFIC and INDUSTRIAL RESEARCH; Kamal, Ahmed; Murty, Jayanti Naga Srirama Chandra; Viswanath, Arutla Patent: US2013/317211 A1, 2013 ; Location in patent: Paragraph 0271 ;
930-21-2 structure

930-21-2

~98%

504-88-1 structure

504-88-1

Literature: Annese, Cosimo; D'Accolti, Lucia; Filardi, Rosella; Tommasi, Immacolata; Fusco, Caterina Tetrahedron Letters, 2013 , vol. 54, # 6 p. 515 - 517
802294-64-0 structure

802294-64-0

~%

504-88-1 structure

504-88-1

Literature: Hass; Hudgin Journal of the American Chemical Society, 1954 , vol. 76, p. 2692
590-92-1 structure

590-92-1

~72%

504-88-1 structure

504-88-1

Literature: Addo, James K.; Teesdale-Spittle, Paul; Hoberg, John O. Synthesis, 2005 , # 12 art. no. M09404SS, p. 1923 - 1925
57-57-8 structure

57-57-8

~%

504-88-1 structure

504-88-1

Literature: Gresham et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 1323 Full Text View citing articles Show Details Hass et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 1858
141-76-4 structure

141-76-4

~%

504-88-1 structure

504-88-1

Literature: Lewkowitsch Journal fuer Praktische Chemie (Leipzig), 1879 , vol. <2>20, p. 169
7697-37-2 structure

7697-37-2

802294-64-0 structure

802294-64-0

~%

504-88-1 structure

504-88-1

Literature: Hass; Hudgin Journal of the American Chemical Society, 1954 , vol. 76, p. 2692
HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
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