요오드화부틸

Butyl iodide

HCID 10962CAS 25267-27-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCI
InChIKey
KMGBZBJJOKUPIA-UHFFFAOYSA-N
분자식
C4H9I
평균 분자량
184.02 g/mol
단동위원소 질량
183.97489829

개요

butyl iodide has been reported in Ascophyllum nodosum, Mastocarpus stellatus, and other organisms with data available.

이름 및 식별자

우선 이름
Butyl iodide
IUPAC
1-iodobutane
현지명
요오드화부틸
영어명
1-Iodobutane
분자식
C4H9I
분자량
184.02

이름 및 동의어

1-IodobutaneButyl iodide542-69-8N-BUTYL IODIDEButane, 1-iodo-607A6CC46RNSC-8420DTXSID70862157RefChem:829368DTXCID20810961208-824-41-iodo-butane
이름 더 보기
1-아이오도뷰테인요오드화부틸1-요오도부탄Iodobutane1-LODOBUTANEn-C4H9I1-iodo-butan1-Butyljodidn-Butyliodidn-Iodobutane
Butane, iodo-1-JodbutanMFCD0000109825267-27-01-Jodbutan [Czech]1-BUTYLIODIDENSC 8420EINECS 208-824-4

데이터베이스 식별자

CAS
25267-27-0、542-69-8
PubChem CID
10962
DTXSID
DTXSID70862157
UNII
607A6CC46R
EC Number
208-824-4
Nikkaji
J2.644A

물성

구조 계산 물성

XLogP
3.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
2
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP3.08
Vapor Pressure13.9 [mmHg]
Physical DescriptionLiquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
103 °C · −103 °C(lit.)
끓는 점
130 · 130-131 °C(lit.)
밀도
1.617 g/mL · 1.617 g/mL at 25 °C(lit.)
증기 밀도
5 · ~5 (vs air)
증기압
18.5 hPa · 18.5 hPa (25 °C)
굴절률
20 · n20/D 1.498(lit.)

화학적 성질

colorless liquid. Soluble in chloroform, miscible with ethanol and ether, insoluble in water, and will change color when exposed to light or left for a long time.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Butane, 1-iodo-

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

Hazards SummaryAn irritant; Harmful by inhalation; [Alfa Aesar MSDS] See 1-Bromobutane and n-Butyl chloride.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 6,100 mg/m3/4hr

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EK4400000
ridadr
UN 1993 3/PG 3
HS 번호
29033080
risk_code
10-20-36/37/38-20/22

화학 및 산업

약리 정보

Metabolism/Metabolites1-iodobutane has known human metabolites that include butyl-glutathione.

용도 및 제조

General Manufacturing InformationButane, 1-iodo-: ACTIVE
응용 분야 · 2건

용도1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.

일반 설명Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.

제조 방법

1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.

상·하류 제품 정보

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