CAS 6092-54-2 Hexyl chloroformate (HCID 22466)

개요

used as an indicator

이름 및 식별자

우선 이름: Hexyl chloroformate
IUPAC: hexyl carbonochloridate
현지명: 클로로포름산노르말헥실에스테르
영어명: HEXYL CHLOROFORMATE
분자식: C7H13ClO2
분자량: 164.63

이름 및 동의어

Hexyl chloroformate6092-54-2Carbonochloridic acid, hexyl esterN-HEXYL CHLOROFORMATEHexyl chlorocarbonateChloroformic acid N-hexyl esterhexylchloroformateFormic acid, chloro-, hexyl esterMU6004C2Z3DTXSID1064110RefChem:830077DTXCID9042914

이름 더 보기

N-헥실클로로포메이트클로로포름산노르말헥실에스테르N-헥실 클로로포메이트N-HEXYLCHLOROFOMATEN-HexachloroformatehexylchlorocarbonateHexyl chloridocarbonateHexyl chloroformate,98%Hexyl chloroformate 97%Hexyl Chloroformate >

228-036-4hexyl carbonochloridateChloroformic Acid Hexyl EsterMFCD00000651n-hexylchloroformateDabigatran Etexilate Impurity 24Hexyl carbonochloridoateUNII-MU6004C2Z3

데이터베이스 식별자

CAS: 6092-54-2
PubChem CID: 22466
DTXSID: DTXSID1064110
UNII: MU6004C2Z3
EC Number: 228-036-4
Nikkaji: J151.122J

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 93.6

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Density1.007

Color/FormClear, colorless liquid /Chloroformates/

Boiling Point60-61 °C at 7 mm Hg

Vapor Pressure · 2건

3.1 [mmHg]

7 mm Hg at 60-61 °C

물리화학적 성질

끓는 점: 60 · 60-61 °C/7 mmHg (lit.)
밀도: 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
증기압: 0.06 psi · 0.06 psi ( 20 °C)
굴절률: 20 · n20/D 1.424(lit.)
인화점: 61 °C · 61°C
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색의
InChI: InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
InChIKey: KIWBRXCOTCXSSZ-UHFFFAOYSA-N
SMILES: C(Cl)(OCCCCCC)=O
EPA: Carbonochloridic acid, hexyl ester (6092-54-2)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (22.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 188 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16600

Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema and chemical pneumonitis; A lachrymator; [MSDSonline] See CHLOROFORMATES.

Hazard Classes and CategoriesAcute Tox. 3 (22.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

Non-Human Toxicity ExcerptsTHE APPROX LETHAL DOSE OF IP INJECTIONS IN MICE WAS FROM LESS THAN 1 MG/KG TO MORE THAN 15 ML/KG.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2742
HS 번호: 29159000
risk_code: 23/24/25-34
hazard_code: T
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
유해 물질 데이터: 6092-54-2(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 2건

Used as intermediate; [HSDB]

Intermediate for synthesis of pesticides, perfumes, drugs, polymers, dyes, and other chemicals /Chloroformates/

ImpuritiesCarbon dioxide, hydrogen chloride, phosgene, and alkyl chlorides; main impurities are corresponding carbonates /Chloroformic esters/

Methods of ManufacturingPrepared by the reaction of liquid anhydrous alcohol /n-hexyl alcohol/ with molar excess of dry, chlorine-free phosgene at low temperature /Alkyl chlorofomates/

Formulations/Preparations · 3건

Typical specifications of commercial chloroformates: purity, 98%; phosgene, <0.1%, iron, <10 ppm; acidity as HCl, <0.1%; alcohol or phenol, <2% /Chloroformic esters/

Commercial products have concentrations of 97-99 wt% /Chloroformic esters/

97%

General Manufacturing Information · 2건

Carbonochloridic acid, hexyl ester: ACTIVE

Most chloroformate production is used captively and production figures are not available /Chloroformic esters/

응용 분야 · 2건

용도Hexyl chloroformate has been used as derivatization reagent in: determination of sarcosine and N-ethylglycine in urine and urinary sediments by solid-phase micro extraction and fast GC-MS analysis determination of benzoylecgonine in urine by GC-quadrupole ion trap mass spectrometry

일반 설명Hexyl chloroformate belongs to the class of chloroformates. It is widely used in the derivatization of highly hydrophilic compounds to hexyl esters, carbonates and carbamates.