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알릴요오다이드

Allyl iodide

HCID 11166
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
556-56-9
표준 SMILES
C=CCI
InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N
분자식
C3H5I
평균 분자량
167.98 g/mol
단동위원소 질량
167.94359816

개요

Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.

이름 및 식별자

우선 이름
Allyl iodide
IUPAC
3-iodoprop-1-ene
현지명
알릴요오다이드
영어명
ALLYL IODIDE
분자식
C3H5I
분자량
167.98

이름 및 동의어

ALLYL IODIDE556-56-93-Iodo-1-propene3-Iodopropene1-Propene, 3-iodo-3-IodopropylenePropene, 3-iodo-UN1723EINECS 209-130-4NSC 18588UNII-46830QOA4DBRN 1697594
이름 더 보기
알릴아이오다아이드3-요오드프로펜알릴요오다이드알릴이오다이드알릴 아이오다아이드요오드화합금AllyljodidAllyliodid3-Jodpropen3-Iodpropen3-iodo-propen3-Jod-1-propen
46830QOA4D2-Propene, 1-iodoCH2CHCH2INSC-18588ALLYL IODIDE [MI]4-01-00-00761 (Beilstein Handbook Reference)DTXSID5060302UN 1723

데이터베이스 식별자

CAS
556-56-9
PubChem CID
11166
DTXSID
DTXSID5060302
UNII
46830QOA4D
EC Number
209-130-4
Nikkaji
J2.661A

물성

구조 계산 물성

XLogP
2.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
4
형식 전하
0
복잡도
17.2

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Aliphatics, Unsaturated

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Physical Description · 2건

Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.

Yellowish liquid with a pungent unpleasant odor; Darkened by light and air evolving iodine; [Merck Index] Clear dark red liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
-99 °C · -99 °C
끓는 점
102103 °C · 102103°C
밀도
1.837 g/mL · 1.837 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.554
인화점
65 °F · 65 °F
저장 조건
2 · 2-8°C
용해도
알코올: 혼화성(lit.)
물리적 상태
액체
색상
투명한 노란색에서 주황색, 빨간색 또는 적갈색

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

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

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

Danger

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

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

유해성 정보

Regulatory Information · 2건

Chemical: 1-Propene, 3-iodo-

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 Corrosive
Fire Hazards · 2건

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Health Hazards · 2건

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1건

Causes general anesthesia, cyanosis, and changes in the structure or function of salivary glands in oral lethal-dose studies of rats; [RTECS] Corrosive and flammable; [Merck Index] A strong skin, eye, and mucous membrane irritant; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Highly toxic by ingestion; Readily absorbed through skin; [Sigma-Aldrich MSDS] See Allyl bromide. See 2,3-Dichloro-1-propene. See Iodine for the TLV of Iodides.

화학 및 산업

용도 및 제조

UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information1-Propene, 3-iodo-: ACTIVE
응용 분야 · 2건

용도Allyl iodide is used as a reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes. It is used in synthesis of other organic compounds such as N-alkyl 2-pyrrolidone, Sorbic acid ester etc,.

일반 설명A yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Flash point is less than 75°F. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.

상·하류 제품 정보

상류 원료

1-Propene, 3-(trifluoromethoxy)-Methanol, trifluoro-, rubidium salt (9CI)

하류 제품

알릴 아이소사이오사이아네이트3-METHYL-1,5-헥사디엔1,3-디오도비시클로[1.1.1]펜탄4-아세틸아미노-2-(디알릴아미노)아니솔3-옥소-6-헵텐산에틸

관련 반응

301건
반응 기록 만들기
HRID 7391 반응식
HRID 7391반응물로uspto-grants-2006_08
HRID 10974 반응식
HRID 10974반응물로uspto-grants-2006_08
HRID 20042 반응식
HRID 20042반응물로uspto-grants-2010_06
HRID 21629 반응식
HRID 21629반응물로uspto-grants-1995_06
HRID 43656 반응식
HRID 43656반응물로uspto-grants-2013_09
HRID 73274 반응식
HRID 73274반응물로uspto-grants-2014_09
HRID 73393 반응식
HRID 73393반응물로uspto-grants-2014_09
HRID 85892 반응식
HRID 85892반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
수용성
알코올, 클로로포름, 에테르 및 디에틸 에테르에 용해됩니다. 물에 불용성.
Merck
14 · 14,294
BRN
1697594 · 1697594
Henry's Law Constant
3.8 · 3.8×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant
6.1 · 6.1(19℃)
InChI
1S/C3H5I/c1-2-3-4/h2H,1,3H2
InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N
SMILES
ICC=C
EPA
1 · 1-Propene, 3-iodo- (556-56-9)

화학적 성질

clear orange, red or red-brown liquid

DOT ID and Guide1723 132
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity ProfileALLYL IODIDE is moderately reactive. Incompatible with strong oxidizing and reducing agents. Also, incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification · 5건

Allyl iodide

UN1723

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Darkens on exposure to light and air liberating Iodine [Merck 11th ed. 1989]. Insoluble in water.
Hazard Classes and Categories · 4건

Flam. Liq. 2 (100%)

Flammable liquid - category 2

Corrosives, Flammable agents - 3rd degree

Flam. Liq. 2

안전 및 보호

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures · 2건

· 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 · 2건

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
UD0450000
ridadr
UN 1723
HS 번호
29033990
risk_code
10-34-11
hazard_code
C,T,F
safety_code
7-26-45-16
포장분류
II
위험 등급
3
F 고인화성물질
8-13
Hazard Classifications
Acute Tox. 2 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
스토리지 클래스
3 - Flammable liquids
알릴불화물
1,6-HEPTADIEN-4-OL
2,4,6-트리브로모페닐 알릴 에테르
트리아릴 포스페이트
알릴메르캅탄
1-아이오도-3,5-디니트로벤젠
알릴 이황화합물