Isopropyl nitrite

HCID 10929
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Basic information

CAS
541-42-4
Standard SMILES
CC(C)ON=O
InChIKey
SKRDXYBATCVEMS-UHFFFAOYSA-N
Molecular formula
C3H7NO2
Average molar mass
89.09 g/mol
Monoisotopic mass
89.04767846

Names & identifiers

Preferred name
Isopropyl nitrite
IUPAC
propan-2-yl nitrite
English name
Isopropyl nitrite
Molecular formula
C3H7NO2
Molecular weight
89.09

Names & synonyms

Isopropyl nitrite541-42-42-Propanol nitrite2T3Y2PS0ZEDTXSID3052191RefChem:149832DTXCID8030762208-779-0propan-2-yl nitriteNitrous acid, 1-methylethyl esterISOPROPYLNITRITENITROUS ACID, ISOPROPYL ESTER
Show more names
2-propyl nitriteIsopropylnitrit2-propanolnitriteIsopropyl nitritel1-methylethylnitrite2-(Nitrosooxy)propaneIsopropyl nitrite (VAN)nitrousacidisopropylester
EINECS 208-779-0UNII-2T3Y2PS0ZEIsopropylester kyseliny dusite [Czech]Nitrous acid isopropyl esterBRN 1698878Isopropylester kyseliny dusiteNitrous acid 1-methylethyl esteriso-Propyl nitrite

Database identifiers

CAS
541-42-4
PubChem CID
10929
DTXSID
DTXSID3052191
UNII
2T3Y2PS0ZE
EC Number
208-779-0
Nikkaji
J23.978J

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
6

Physicochemical properties

Boiling point
39 ℃ · 39℃
Density
1.02 · 1.02
vapor pressure
57.595 · 57.595-61.088kPa at 25℃
refractive index
20 · nD20 1.3520
Flash point
-37 ℃ · -37℃
InChI
InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

Hazard information

Regulatory Information · 2 items

Status: Active Update: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27601

Isopropyl nitrite: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 3 items

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Serious eye damage/eye irritation - Category 1

Safety data

tsca
TSCA listed
ridadr
1992
risk_code
8-11-23/24/25-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS05,GHS06,GHS07,GHS08
hazard_code
O,T

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.

Uses & manufacturing

General Manufacturing InformationNitrous acid, 1-methylethyl ester: ACTIVE

Applications

UsesIsopropyl nitrite is used in the preparation of heterocyclic amides as RIP1 kinase inhibitors.

UsesJet propellant.

Upstream & downstream products

Suppliers66 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Anhui Yiao New Material Technology Co., Ltd+86-18033737140 +86-17354101231 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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