2-Methyl-2-nitropropan-1-ol

Modify Date: 2026-07-03 17:20:58

2-Methyl-2-nitropropan-1-ol Structure
2-Methyl-2-nitropropan-1-ol structure
 Common Name 2-Methyl-2-nitropropan-1-ol
CAS Number 76-39-1 Molecular Weight 119.11900
Density 1.135g/cm3 Boiling Point 94-95ºC10 mm Hg(lit.)
Molecular Formula C4H9NO3 Melting Point 86-89ºC(lit.)
MSDS N/A Flash Point 92.1ºC

 Names

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

Name 2-Nitroisobutanol
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 1.135g/cm3
Boiling Point 94-95ºC10 mm Hg(lit.)
Melting Point 86-89ºC(lit.)
Molecular Formula C4H9NO3
Molecular Weight 119.11900
Flash Point 92.1ºC
Exact Mass 119.05800
PSA 66.05000
LogP 0.55720
Index of Refraction 1.448
InChIKey MVGJRISPEUZYAQ-UHFFFAOYSA-N
SMILES CC(C)(CO)[N+](=O)[O-]

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB8575000
CHEMICAL NAME :
1-Propanol, 2-methyl-2-nitro-
CAS REGISTRY NUMBER :
76-39-1
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H9-N-O3
MOLECULAR WEIGHT :
119.14
WISWESSER LINE NOTATION :
WNX1&1&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

 Safety Information

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

WGK Germany 3
RTECS UB8575000

 2-Methyl-2-nitropropan-1-olBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841
Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788
Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813
Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG
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 Synonyms

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

2-Methyl-2-nitropropan-1-ol
EINECS 200-957-6

 2-Methyl-2-nitropropan-1-ol | FAQ

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

Q: What is the boiling point of 2-Nitroisobutanol?
A: Boiling point of 2-Nitroisobutanol is 94-95ºC10 mm Hg(lit.).
Q: What is the polar surface area (PSA) of 2-Nitroisobutanol?
A: Polar surface area (PSA) of 2-Nitroisobutanol is 66.05000.
Q: What is the molecular weight of 2-Nitroisobutanol?
A: Molecular weight of 2-Nitroisobutanol is 119.11900.
Q: What is the CAS number of 2-Nitroisobutanol?
A: CAS number of 2-Nitroisobutanol is 76-39-1.
Q: What is the melting point of 2-Nitroisobutanol?
A: Melting point of 2-Nitroisobutanol is 86-89ºC(lit.).
Q: What are the upstream materials of 2-Nitroisobutanol?
A: Related upstream materials(CAS) of 2-Nitroisobutanol: 50-00-0;79-46-9;597-09-1;126-11-4;77-49-6;71481-64-6;5447-97-2.
Q: What is the molecular formula of 2-Nitroisobutanol?
A: Molecular formula of 2-Nitroisobutanol is C4H9NO3.
Q: What is the SMILES notation of 2-Nitroisobutanol?
A: SMILES notation of 2-Nitroisobutanol is CC(C)(CO)[N+](=O)[O-].
Q: What are the downstream products of 2-Nitroisobutanol?
A: Related downstream products(CAS) of 2-Nitroisobutanol: 2177-42-6;19155-54-5;811-93-8;7005-47-2;33453-98-4;124-68-5;4706-13-2;17697-36-8;17697-46-0.
Q: What is the LogP of 2-Nitroisobutanol?
A: LogP of 2-Nitroisobutanol is 0.55720.

 2-Methyl-2-nitropropan-1-olfactory

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

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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