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methyl 4-nitrobutyrate
butanoic acid, 4-nitro-, methyl ester (9CI)

Supplier Sponsors

CAS Number: 13013-02-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:235-866-0
FDA UNII: Search
Nikkaji Web:J129.135A
Beilstein Number:1766154
MDL:MFCD00007408
XlogP3:0.60 (est)
Molecular Weight:147.13053000
Formula:C5 H9 N O4
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
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PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.14900 @ 25.00 °C.
Refractive Index:1.43800 @ 20.00 °C.
Boiling Point: 238.50 °C. @ 760.00 mm Hg (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 0.480 (est)
Soluble in:
 water, 1.224e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 4-nitrobutyrate
Kingchem Laboratories
Methyl 4-nitrobutyrate
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 4-nitrobutyrate ≥96%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 4-nitrobutyrate 97%
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
unreported-rat LD50 1000 mg/kg
Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for methyl 4-nitrobutyrate usage levels up to:
 not for fragrance use.
 
Recommendation for methyl 4-nitrobutyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :25604
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 4-nitrobutanoate
Chemidplus:0013013020
RTECS:ET5950970 for cas# 13013-02-0
 
References:
 methyl 4-nitrobutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):25604
Pubchem (sid):134989423
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.90.5000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid, 4-nitro-, methyl ester (9CI)
 butyric acid, 4-nitro-, methyl ester
 methyl 4-nitrobutanoate
4-nitrobutyric acid methyl ester
 
 
Notes:
None found
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