Isobutyl chloride (HCID 10554)

이름 및 식별자

우선 이름: Isobutyl chloride
IUPAC: 1-chloro-2-methylpropane
현지명: 염화 이소뷰틸
영어명: 1-Chloro-2-methylpropane
분자식: C4H9Cl
분자량: 92.57

이름 및 동의어

1-Chloro-2-methylpropaneISOBUTYL CHLORIDEPropane, 1-chloro-2-methyl-iso-C4H9ClUNII-95E08D17M7EINECS 208-157-995E08D17M72-CHLOROMETHYLPROPANE2-METHYLPROPYL CHLORIDEISOBUTYL CHLORIDE [MI]DTXSID40601532-METHYL-1-CHLOROPROPANE

이름 더 보기

1-클로로-2-메틸프로페인염화이소뷰틸클로로-2-메틸프로탄염화이소뷰틸이소부틸클로라이드3-CHLORO-2-METHYLPROPANEChloroisobutaneIsobutylchlorid1-CHLOROISOBUTANEiso-Chloro-butaneChloro-2-MethylpropCHLORO-2-METHYLPROPANE

UN11271Chloro2methylpropanePropane, 1chloro2methylRefChem:149078DTXCID7040996QTBFPMKWQKYFLR-UHFFFAOYSA-N513-36-01-chloro-2-methyl-propane

데이터베이스 식별자

CAS: 513-36-0
PubChem CID: 10554
DTXSID: DTXSID4060153
ChEMBL: CHEMBL160966
UNII: 95E08D17M7
EC Number: 208-157-9
Nikkaji: J2.619K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 17.6

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree

SolventsSolvents -> Chlorinated Aliphatics

SpringerMaterials PropertiesSchoenflies notation

LogP2.39

Density · 2건

Relative density (water = 1): 0.9

0.881 @ 20°C

SolubilitySolubility in water: none

물리화학적 성질

녹는점: -131 °C · -131 °C (lit.)
끓는 점: 68 · 68-69 °C (lit.)
밀도: 0.883 g/mL · 0.883 g/mL at 25 °C (lit.)
증기압: 161 hPa · 161 hPa (20 °C)
굴절률: 20 · n20/D 1.398(lit.)
인화점: 70 °F · 70 °F
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 불용성
물리적 상태: 액체
색상: 무색 내지 거의 무색
폭발한계: 2 · 2.0-8.8%(V)
수용성: 28 mg/l · 28mg/l(20℃)
Merck: 14 · 14,5138
BRN: 635650 · 635650
Henry's Law Constant: 8.3 · 8.3×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
Dielectric constant: 7.1 · 7.1(20℃)
InChI: 1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N
SMILES: CC(C)CCl
표면장력: 22.31 mN/m · 22.31mN/m at 293.15K
NIST: 1 · Propane, 1-chloro-2-methyl-(513-36-0)
EPA: 1 · Propane, 1-chloro-2-methyl- (513-36-0)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.2% (2 of 165) of reports.

Danger

H225 (98.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 165 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Propane, 1-chloro-2-methyl-

Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20738

1-Chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard

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.)

Fire HazardsHighly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.

Hazards SummaryNo listed effects of short-term or long-term exposure; [ICSC] An irritant; [Alfa Aesar MSDS] See n-Butyl chloride.

UN ClassificationUN Hazard Class: 3; UN Pack Group: II

Chemical DangersDecomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride (see ICSC 0163) and phosgene (see ICSC 0007). Reacts violently with strong oxidants and powdered metals. This generates fire and explosion hazard.

Physical DangersThe vapour is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.

안전 및 보호

Fire FightingUse powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageFireproof. Separated from powdered metals and strong oxidants.

Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.

Fire Prevention · 1건

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1127 3/PG 2
HS 번호: 29031990
risk_code: 11
hazard_code: F
safety_code: 16-9-33-29
포장분류: II
위험 등급: 3
자연 발화 온도: 395 °C
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 1-chloro-2-methyl-: ACTIVE

응용 분야

용도1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.

일반 설명The gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied.