2-Ethylhexanoyl chloride (HCID 79103)

이름 및 식별자

우선 이름: 2-Ethylhexanoyl chloride
IUPAC: 2-ethylhexanoyl chloride
현지명: 에틸헥사노일클로라이드
영어명: 2-Ethylhexanoyl chloride
분자식: C8H15ClO
분자량: 162.66

이름 및 동의어

2-Ethylhexanoyl chlorideHexanoyl chloride, 2-ethyl-2-Ethylhexanoic acid chloride2-Ethylcaproyl chlorideEINECS 212-081-1NSC 878922-Ethylhexanoic acid, chlorideDTXSID5027308UNII-81065MP28581065MP285EC 212-081-1NSC-87892

이름 더 보기

2-에틸헥사노일염화물에틸헥사노일클로라이드2-에틸헥사노일염화물2-에틸헥산오일 클로라이드hexanoyLethylhexanoyl chloride2-EHCLUNII:81065MP2852-ethylcaproylchloride2-ethvlhexanovlchlorideA-ETHYLCAPROYL CHLORIDE2-ethyl-hexanoylchlorid

2-Ethylcaproic acid chlorideJ150.162CDTXCID507308WFSGQBNCVASPMW-UHFFFAOYSA-RefChem:86966212-081-1InChI=1/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3WFSGQBNCVASPMW-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 760-67-8
PubChem CID: 79103
DTXSID: DTXSID5027308
ChEMBL: CHEMBL3182853
UNII: 81065MP285
EC Number: 212-081-1
Nikkaji: J150.162C

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: -75 °C · <-75°C
끓는 점: 67 · 67-68 °C/11 mmHg (lit.)
밀도: 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
증기압: 0.72 mm · 0.72 mm Hg ( 67.7 °C)
굴절률: 20 · n20/D 1.433(lit.)
인화점: 157 °F · 157 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물과 반응합니다.
BRN: 956601 · 956601
InChI: 1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3
InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N
SMILES: CCCCC(CC)C(Cl)=O
NIST: 2 · Hexanoyl chloride, 2-ethyl-(760-67-8)
EPA: 2 · Hexanoyl chloride, 2-ethyl- (760-67-8)

화학적 성질

CLEAR COLOURLESS TO GREYISH LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H290 (96.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 161 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Chemical: Hexanoyl chloride, 2-ethyl-

Hexanoyl chloride, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoyl chloride, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 20-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14221

Other Safety InformationIMAP assessments - Hexanoyl chloride, 2-ethyl-: Environment tier I assessment

Hazard Classes and Categories · 2건

Met. Corr. 1 (96.9%)

Flammable liquids - Category 4

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: MP4525000
ridadr: UN 3265 8/PG 2
HS 번호: 29159080
risk_code: 34-43-41-23-22
hazard_code: C
safety_code: 26-36/37/39-45-25
포장분류: II
위험 등급: 8
기존화학 물질: KE-13770
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Hexanoyl chloride, 2-ethyl-: ACTIVE

응용 분야 · 1건

용도2-Ethylhexanoyl chloride was used in the preparation of 4-aza-6-ethyl-4-(2-ethylhexanoyloxy)-5-oxodecyl 2,3, 4,6-tetra-O-acetyl-l-thio-β-D glucopyranoside. It was also used in the preparation of poly(4,8-bis-alkyloxybenzo(1,2-b:4,5-b)dithiophene-2,6-diyl-alt-(alkyl thieno(3,4-b)thiophene-2-carboxylate)-2,6-diyl), having very promising photovoltaic properties.