클로로(2-)에틸에틸에테르

Ethane, 1-chloro-2-ethoxy-

HCID 12341CAS 628-34-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOCCCl
InChIKey: GPTVQTPMFOLLOA-UHFFFAOYSA-N
분자식: C4H9ClO
평균 분자량: 108.57 g/mol
단동위원소 질량: 108.03419259

이름 및 식별자

우선 이름: Ethane, 1-chloro-2-ethoxy-
IUPAC: 1-chloro-2-ethoxyethane
현지명: 클로로(2-)에틸에틸에테르
영어명: 2-Chloroethyl ethyl ether
분자식: C4H9ClO
분자량: 108.57

이름 및 동의어

2-Chloroethyl ethyl ether1-CHLORO-2-ETHOXYETHANE2-Ethoxyethyl chloride2-ChloroethoxyethaneEthane, 1-chloro-2-ethoxy-Ether, 2-chloroethyl ethylbeta-Chloroethyl ethyl etherEthyl beta-chloroethyl etherCCRIS 9095EINECS 211-037-9BRN 1731361DTXSID10211882

이름 더 보기

2-클로로에틸에틸에테르클로로(2-)에틸에틸에테르2-클로로에틸 에틸 에테르2-OxyalkylChlorideEthoxyethyl chloride2-chloro-ethyl ether B1-chloro-2-ethoxy-ethanether,2-chloroethylethyl

RefChem:591653DTXCID40134373Ethane, 1-chloro-2-ethoxy-(9CI)211-037-9628-34-22-Chloroethylethylether1-chloro-2-ethoxy-ethane2-Chlorodiethyl ether

데이터베이스 식별자

CAS: 628-34-2
PubChem CID: 12341
DTXSID: DTXSID10211882
UNII: 2NLQ3AZ36L
EC Number: 211-037-9
Nikkaji: J1.699C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 6
형식 전하: 0
복잡도: 23.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP0.98

물리화학적 성질

녹는점: -60 °C · -60 °C
끓는 점: 107 °C · 107 °C(lit.)
밀도: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.411(lit.)
인화점: 60 °F · 60 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 혼용 가능
BRN: 1731361 · 1731361
InChI: InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey: GPTVQTPMFOLLOA-UHFFFAOYSA-N
SMILES: C(Cl)COCC
NIST: 1 · 1-Chloro-2-ethoxyethane(628-34-2)

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Ethoxyethyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
rtecs: KN6250000
ridadr: UN 1992 3/PG 2
HS 번호: 29091900
risk_code: 11-20/22-41-36/37/38-2011/10/11
hazard_code: F,Xn
safety_code: 36/37-37/39-26-16
포장분류: II
위험 등급: 3
F 고인화성물질: 9
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도It is used as a pharmaceutical intermediate. Photocatalytic oxidation of gaseous 2-chloroethyl ethyl sulfide over TiO2 illuminated with UV light and maintained at 25 or 80°C in air was found to suffer progressive oxidation to yield ethylene, chloroethylene , ethanol, acetaldehyde, chloroacetaldehyde, diethyl disulfide, 2-chloroethyl ethyl disulfide and bis(2-chloroethyl) disulfide as the main primary intermediates, and water (H2O), carbon dioxide (CO2), sulfur dioxide (SO2), surface sulfate ions (SO42-), and hydrogen chloride (HCl) as the final products.