2-Chloropropane

HCID 6361CAS 75-29-6

基本情報

標準SMILES
CC(C)Cl
InChIKey
ULYZAYCEDJDHCC-UHFFFAOYSA-N
分子式
C3H7Cl
平均分子量
78.54 g/mol
単同位体質量
78.0236279

概要

2-chloropropane appears as a colorless liquid with a chloroform-like odor. Vapors heavier than air. Less dense than water. May irritate skin and eyes, and be narcotic in high concentrations. A fire and explosion risk. Used to make other chemicals.

名称と識別子

優先名称
2-Chloropropane
IUPAC
2-chloropropane
現地名
2-クロロプロパン
英語名
2-Chloropropane
分子式
C3H7Cl
分子量
78.54

名称と別名

2-CHLOROPROPANEIsopropyl chloridePropane, 2-chloro-NarcosopIsopridIsopropylchloride2-Propyl chloridesec-Propyl chlorideChlorodimethylmethane2-CHLORO-PROPANECCRIS 874HSDB 5204
名称をさらに表示
2-クロロプロパンイソプリドナルコソプ塩化イソプロピルイソプロピルクロリド塩化ISO-プロピル2クロロプロパン2‐クロロプロパン2-クロロプロパン,塩化イソプロピル2-CHLOROPROP-1-ENE2-CHLORO-1-PROPENE2-chloropropane(isopropylchloride)R280da2-Chlorpropan
UNII-VU39J8AJ2NEINECS 200-858-8UN2356BRN 1730782iso-C3H7ClAI3-18025CHLOROPROPANE, 2-2-CHLOROPROPANE [HSDB]

データベース識別子

CAS
75-29-6
PubChem CID
6361
DTXSID
DTXSID6047739
UNII
VU39J8AJ2N
EC Number
200-858-8
Nikkaji
J1.449D

物性

構造計算による物性

XLogP
1.6
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
4

実験および物理化学的性質

Chemical ClassesFlammable agents - 4th degree
SolventsSolvents -> Chlorinated Aliphatics
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 件

Log Kow = 1.90

1.9

Density · 4 件

0.8617 at 68 °F (NTP, 1992) - Less dense than water; will float

0.8617 @ 20 °C

% IN SATURATED AIR: 68.7 @ 25 °C; DENSITY OF SATURATED AIR: 2.18 (AIR= 1)

0.868 @ 15°C

ViscosityDynamic viscosity at 20 °C=3.2X10-4 Pa-s

物理化学的性質

融点
-118 °C · -118 °C
沸点
35 °C · 35 °C
比重(密度)
0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
蒸気圧
28.11 psi · 28.11 psi ( 55 °C)
屈折率
20 · n20/D 1.395(lit.)
闪点
31 °F · −31 °F

化学的性質

化学的特性Colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Danger

H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Propane, 2-chloro-

Status: Active Update: 22-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15853

Propane, 2-chloro-: HSNO Approval: HSR001110 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Fire PotentialHIGHLY FLAMMABLE
Health Hazards · 2 件

ACUTE/CHRONIC HAZARDS: Fire hazard: Highly dangerous; when exposed to heat, flame or oxidizers. Explosion hazard: Moderate when exposed to heat or flame. (NTP, 1992)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 件

Highly flammable liquid that poses a fire and explosion risk; [Hawley] May cause irritation or burns to skin and eyes; High concentrations may have narcotic effect; [CAMEO] An irritant; May be absorbed through skin; Effects in high-dose animal studies include cyanosis; [MSDSonline] Classified as a non-irritant of the eyes by EEC guidelines; [AIHA]

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 件

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Use "alcohol" foam, dry chemical or carbon dioxide. Cool all affected containers with flooding quantities of water. Do not extinguish fire unless flow can be stopped. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources.

Evacuation: If fire becomes uncontrollable or container is exposed to direct flame -- consider evaucation of one-third (1/3) mile radius.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 53(SRC), determined from a measured water solubility(2) and a recommended regression-derived equation(3), indicates that 2-chloropropane will have high mobility in soil(SRC). Hydrolysis in moist soils may occur(SRC) with a measured half-life of 38 days in aqueous solution at pH 7 and 25 °C(4). Volatilization of 2-chloropropane should be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 1.8X10-2 atm-cu m/mole(SRC), calculated from experimental values for water solubility(2) and vapor pressure(5). Volatilization from dry soil surfaces(SRC) is expected based on a measured vapor pressure of 515.3 mm Hg(5).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 53(SRC), determined from a measured water solubility(2) and a recommended regression-derived equation(1), indicates that 2-chloropropane should not adsorb to suspended solids and sediment in water(SRC). Hydrolysis is expected to occur with a measured half-life of 38 days in aqueous solution at pH 7 and 25 °C(3). 2-Chloropropane should volatilize from water surfaces(1,SRC) based on an estimated Henry's Law constant of 1.8X10-2 atm-cu m/mole(SRC), calculated from experimental values for water solubility(2) and vapor pressure(4). Estimated half-lives for a model river and model lake are 3 hours and 4 days, respectively(1,SRC). According to a classification scheme(5), an estimated BCF value of 16(1,SRC), from a measured log Kow(6), suggests that bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-chloropropane, which has a measured vapor pressure of 515.3 mm Hg at 25 °C(2), will exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-chloropropane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 17 days(3,SRC).

Food Survey Values2-Chloropropane was isolated from Idaho Russet Burbank baked potatoes and identified as a volatile flavor component(1).
Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent ConcentrationsLandfill leachate which had been treated with chlorine contained 2-chloropropane at unreported concentrations(1).
Soil Adsorption/Mobility · 1 件

The Koc of 2-chloropropane is estimated as approximately 53(SRC), using a measured water solubility of 3050 mg/l(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-chloropropane has high mobility in soil(SRC).

TSCA Test Submissions · 5 件

2-Chloropropane (CAS# 75-29-6) was evaluated for eye irritation. The test substance was administered to rabbits (strain, sex, number, and dosage regime was not provided). Slight pain and slight conjunctival irritation was present in unwashed eyes. Very slight pain and conjunctival irritation was present in washed eyes. All eyes began to heal within 48-hours. No further information was provided.

2-Chloropropane (CAS# 75-29-6) was evaluated for acute inhalation toxicity. The test substance was administered to 3 rats per group (sex and strain not provided) at a saturated concentration for 6-minutes or 8000 ppm for 4-hours. At the saturated concentration, all animals were anesthetized in 3-minutes and died within 6-minutes. At 8000 ppm, animals were very slightly depressed at end of exposure. No further information was provided.

2-Chloropropane (CAS# 75-29-6) was evaluated for chronic toxicity. The test substance was administered to 10 female mice at a concentration of 1000 ppm for 127 seven-hour exposures, 5 times a week, for 181-days. There was no evidence of treatment-related effects in respect to clinical findings, but microscopic findings concluded tissue changes in the liver (slight to marked necrosis of the parenchymal cells in the portal area) and the kidney (tubular degeneration of the epithelium with some necrosis).

2-Chloropropane (CAS# 75-29-6) was evaluated for chronic toxicity. The test substance was administered to 20 male and female rats at a concentration of 1000 ppm for 127 seven-hour exposures, 5 times a week, for 181-days. There was no evidence of treatment-related effects in respect to clinical findings. But female rats had tissue changes in the liver (slight to marked necrosis of the parenchymal cells in the portal area) and the kidney (tubular degeneration of the epithelium with some necrosis).

For more TSCA Test Submissions (Complete) data for 2-CHLOROPROPANE (7 total), please visit the HSDB record page.

法規制情報

TSCA Requirements · 1 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. propane, 2-chloro- is included on this list.

DHS Chemicals of Interest (COI) · 4 件

Isopropyl chloride

1

10000

Flammable chemical that can be released at a facility.

安全データ

F
10-23
wgk
3
tsca
TSCA listed
rtecs
UC7200000
ridadr
UN 2356
毒性
LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

化学と産業

薬理情報

Metabolism/Metabolites... 2-Chloropropane wan enzymatically dechlorinated in vitro by rat liver microsomes.

用途と製造

Uses · 2 件

Used as a solvent and intermediate; [Hawley] Has anesthetic properties, but no significant use as such; May be used as an alternative foam-blowing agent; [AIHA]

SOLVENT; INTERMEDIATE

Methods of Manufacturing · 1 件

2-Chloropropane can be synthesized by addition of hydrogen chloride to propene using, eg, alumina, aluminum chloride, calcium chloride, or tellurium compounds as catalysts. 2-Chloropropane is also formed by reaction of 2-propanol with hydrogen chloride and either zinc chloride or tellurium compounds as catalysts.

General Manufacturing InformationPropane, 2-chloro-: ACTIVE
応用分野 · 4 件

用途溶媒、農薬など化学製品の中間体。

用途有機合成原料。

使用2-Chloropropane decomposes by first-order reaction to give hydrogen chloride and propylene. It is a short-chain chlorinated paraffins that is a component in lubricant additives, metal processing, leather fat-liquoring, plastics softening, PVC plasticizing, flame retardants in paints, adhesives and sealants. It shows anesthetic properties. Further, it is used as an alternative foam-blowing agent.2-Chloropropane is used as a solvent and an intermediate.It can be used as a reactant:In the Friedel-Crafts alkylation reaction of difluorobenzene and toluene using solid acid and methylalumoxane catalysts, respectively.To prepare 4-amino-3-iodo-1-(isopropyl)pyrazolo[3,4-d]pyrimidine, a key intermediate for the synthesis of PfPK7 kinase inhibitors.It is used to prepare benzylisopropylphenylphosphine and chlorodiethylisopropylsilane.

一般的な説明A colorless liquid with a chloroform-like odor. Vapors heavier than air. Less dense than water. May irritate skin and eyes, and be narcotic in high concentrations. A fire and explosion risk. Used to make other chemicals.

調製方法 · 1 件

純化方法Purify the chloride with 95% H2SO4 as described for isopropyl bromide, then dry with MgSO4, P2O5 or CaH2, and fractionally distil it from Na2CO3 or CaH2. Alternatively, a stream of oxygen containing ca 5% ozone is passed through the chloride for about three times as long as is necessary to obtain the first coloration of starch iodide paper by the exit gas, and the liquid is then washed with NaHCO3 solution to hydrolyse ozonides and remove organic acids before drying and distilling. [Beilstein 1 IV 191.]

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