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클로로탄산 이소부틸에스테르

Isobutyl chloroformate

HCID 62365
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
543-27-1
표준 SMILES
CC(C)COC(=O)Cl
InChIKey
YOETUEMZNOLGDB-UHFFFAOYSA-N
분자식
C5H9ClO2
평균 분자량
136.58 g/mol
단동위원소 질량
136.0291072

개요

Isobutyl chloroformate appears as a colorless to light-colored liquid. Insoluble in water and denser than water. Very corrosive to skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Combustible.

이름 및 식별자

우선 이름
Isobutyl chloroformate
IUPAC
2-methylpropyl carbonochloridate
현지명
클로로탄산 이소부틸에스테르
영어명
Isobutyl chloroformate
분자식
C5H9ClO2
분자량
136.58

이름 및 동의어

Isobutyl chloroformate543-27-12-Methylpropyl chloroformate2-Methylpropyl carbonochloridateIsobutyl chlorocarbonateChloroformic acid isobutyl esterCARBONOCHLORIDIC ACID, 2-METHYLPROPYL ESTERChlorocarbonic acid isobutyl esterFormic acid, chloro-, isobutyl ester6S785TC0OBNSC-8429DTXSID8052194
이름 더 보기
아이소뷰틸클로로폼에이트아아이소뷰틸클로로폼산클로로탄산이소부틸에스테르클로로포름산이소부틸에스테르(이소부틸클로로포름산)아아이소뷰틸클로로폼산(ISOBUTYLCHLOROFORMATE)아이소뷰틸 클로로폼에이트IBCFisobutyl chloformateIsobuthyl chloroforMate2-methyl-1-propylchlorocarbonateoroformateIsobutyl chloroforma
RefChem:149079DTXCID3030765208-840-1isobutyl carbonochloridatei-Butyl chloroformateIsobutylchloroformateIsobutyl chloridocarbonateNSC 8429

데이터베이스 식별자

CAS
543-27-1
PubChem CID
62365
DTXSID
DTXSID8052194
UNII
6S785TC0OB
EC Number
208-840-1
Nikkaji
J95.612K

물성

구조 계산 물성

XLogP
2.8
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
8
형식 전하
0
복잡도
80.5

실험 및 물리화학적 성질

Chemical Classes · 2건

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 3rd degree

SpringerMaterials PropertiesDielectric constant
LogP1.54 (calculated)
Density · 3건

1.04 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.04

1.053 @25 °C

SolubilitySolubility in water: reaction
Flash Point27 °C c.c.
Boiling Point · 2건

129 °C

128.7 °C @760 [mm Hg]

Vapor DensityRelative vapor density (air = 1): 4.71
Vapor Pressure · 2건

16.5 [mmHg]

Vapor pressure, kPa at 20 °C: 2.2

Physical Description · 3건

Isobutyl chloroformate appears as a colorless to light-colored liquid. Insoluble in water and denser than water. Very corrosive to skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Combustible.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 4건

Chemical: Carbonochloridic acid, 2-methylpropyl ester

REACH registered substance: Isobutyl chloroformate (EC: 208-840-1)

Isobutylchlorofomate: 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.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelPoison Corrosive Flammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 27 °C explosive vapour/air mixtures may be formed.

Health HazardsExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

화학 및 산업

용도 및 제조

UsesUsed as A peptide reagent; [Hawley]
General Manufacturing InformationCarbonochloridic acid, 2-methylpropyl ester: ACTIVE

응용 분야

용도Isobutyl chloroformate is used as a peptide reagent. It is also used in the preparation of phenethyl-carbamic acid isobutyl ester by reaction with phenethylamine.

일반 설명A colorless to light-colored liquid. Insoluble in water and denser than water. Very corrosive to skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Combustible.

상·하류 제품 정보

하류 제품

GLY-7-아미노-4-메틸쿠마린Cefpiramide acidIsobutyl carbonate이소글루타민(S)-2-(N-메틸-3-(메틸디술파닐)프로파나미도)프로판산4-히드록시부탄산메틸에스테르FMOC-아스파티몰(OTBU)이소프로필말론산Z-프로-베타나카르밤산,(2-아미노-1-메틸-2-옥소에틸)-,2-메틸프로필에스테르(9CI)

관련 반응

3,801건
반응 기록 만들기
HRID 929 반응식
HRID 929반응물로uspto-grants-1998_03
HRID 2473 반응식
HRID 2473반응물로uspto-grants-1998_03
HRID 3037 반응식
HRID 3037반응물로uspto-grants-1998_03
HRID 3614 반응식
HRID 3614반응물로uspto-grants-1998_03
HRID 3656 반응식
HRID 3656반응물로uspto-grants-1998_03
HRID 3657 반응식
HRID 3657반응물로uspto-grants-1998_03
HRID 3661 반응식
HRID 3661반응물로uspto-grants-1998_03
HRID 3783 반응식
HRID 3783반응물로uspto-grants-1988_02
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화합물 노트

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Clear liquid; [Merck Index] Colorless liquid with a pungent odor; [ICSC]

COLOURLESS LIQUID WITH PUNGENT ODOUR.

물리화학적 성질

녹는점
-80 °C · -80°C
끓는 점
128.8 °C · 128.8 °C(lit.)
밀도
1.053 g/mL · 1.053 g/mL at 25 °C(lit.)
증기압
0.33 mm · 0.33 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.407(lit.)
인화점
82 °F · 82 °F
저장 조건
2 · 2-8°C
용해도
벤젠: 혼합 가능
물리적 상태
액체
색상
투명한
수용성
물과 섞이지 않습니다.
Merck
14 · 14,5139
BRN
956590 · 956590
Dielectric constant
9.2 · 9.2(20℃)
안정성
수분에 민감한
주요 응용
펩타이드 합성
InChI
1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
InChIKey
YOETUEMZNOLGDB-UHFFFAOYSA-N
SMILES
ClC(=O)OCC(C)C
NIST
Isobutyl chloroformate(543-27-1)
EPA
Isobutyl chloroformate (543-27-1)

화학적 성질

clear liquid

Hazards Summary · 1건

An eye and mucous membrane irritant (vapors); [Merck Index] Corrosive; [Hawley] Reacts with water evolving hydrogen chloride; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; [ICSC] Highly flammable; Reacts with water exothermically forming hydrogen chloride gas; Highly corrosive to skin, eyes, and mucous membranes; [CAMEO] Corrosive to skin and eyes; [eChemPortal: ERMA] A lachrymator; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See CHLOROFORMATES.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
UN ClassificationUN Hazard Class: 6.1; UN Subsidiary Risks: 3 and 8; UN Pack Group: II
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

ISOBUTYL CHLOROFORMATE is incompatible with water, with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Chemical DangersDecomposes on burning. This produces toxic and corrosive fumes. Reacts with water and moisture. This produces hydrogen chloride.
Packaging and LabellingDo not transport with food and feedstuffs. Unbreakable packaging. Put breakable packaging into closed unbreakable container.

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

NO water. Use dry powder, carbon dioxide, alcohol-resistant foam. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.

First Aid Measures · 4건

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

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

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

First AidExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Safe StorageFireproof. Dry. Well closed. Provision to contain effluent from fire extinguishing. Separated from food and feedstuffs. Store in an area without drain or sewer access.
Exposure Control and Personal Protection · 2건

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

0.2 [ppm]

Nonfire Spill ResponseExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Spillage Disposal · 1건

Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable dry plastic containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations.

Isolation and EvacuationExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 27 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskA harmful contamination of the air will be reached very quickly on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves. Protective clothing.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and Symptoms · 4건

Sore throat. Burning sensation. Cough. Laboured breathing. Shortness of breath. Symptoms may be delayed.

Redness. Pain. Skin burns.

Redness. Pain. Severe deep burns.

Abdominal pain. Burning sensation. Shock or collapse.

ICSC Environmental DataThe substance is toxic to aquatic organisms.

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 3390 6.1/PG 1
독성
LD50 orally in Rabbit: 1400 mg/kg
HS 번호
29159000
risk_code
10-22-23-34
hazard_code
T
safety_code
26-36/37/39-45
포장분류
I
위험 등급
6.1
F 고인화성물질
10-19
Hazard Classifications
Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스
3 - Flammable liquids
Z-Leu-NH2