기본 정보
- 표준 SMILES
O=C(Cl)C(=O)Cl- InChIKey
CTSLXHKWHWQRSH-UHFFFAOYSA-N- 분자식
- C2Cl2O2
- 평균 분자량
- 126.92 g/mol
- 단동위원소 질량
- 125.9275346
이름 및 식별자
- 우선 이름
- Oxalyl chloride
- IUPAC
- oxalyl dichloride
- 현지명
- 염화옥살릴
- 영어명
- Oxalyl chloride
- 분자식
- C2Cl2O2
- 분자량
- 126.93
이름 및 동의어
Oxalyl chlorideOxalyl dichloride79-37-8Ethanedioyl dichlorideOxalic dichlorideOxaloyl chlorideOxalic acid dichlorideOxalic acid chlorideEthanedioyl chlorideR4Y96317DWDTXSID3058822RefChem:6088
이름 더 보기
염화옥살릴옥살릴염화물옥살산디클로라이드이염화옥살릴옥살릴염화물Oxalylformyl chlorideOCCOXOxalic chlorideOCN
DTXCID0048137201-200-2oxalylchlorideFaropenem Impurity 9MFCD00000704(COCl)2EINECS 201-200-2C2Cl2O2
데이터베이스 식별자
- CAS
79-37-8- PubChem CID
- 65578
- DTXSID
DTXSID3058822- UNII
- R4Y96317DW
- EC Number
- 201-200-2
- Nikkaji
- J3.842C
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 75.5
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesSchoenflies notation
Density1.4785 @ 20°C
Boiling Point63.5 °C @760 [mm Hg]
Melting Point-16 °C
Vapor Pressure150.0 [mmHg]
Physical Description
Liquid
Colorless fuming liquid with a penetrating odor; [Merck Index]
물리화학적 성질
- 녹는점
- -10 · -10--8 °C (lit.)
- 끓는 점
- 62 · 62-65 °C (lit.)
- 밀도
- 1.5 g/mL · 1.5 g/mL at 20 °C (lit.)
- 증기 밀도
- 4.4 · 4.4 (vs air)
- 증기압
- 150 mm · 150 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.429(lit.)
- 인화점
- 176 · 176-178°C
- 저장 조건
- Store Cold
- 용해도
- 에 용해됨클로로포름, 에틸아세테이트
- 물리적 상태
- 액체
- 색상
- 0 · APHA: 0-150
- 냄새
- 침투하는 냄새
- 수용성
- 물과 반응
- Merck
- 14 · 14,6914
- BRN
- 1361988 · 1361988
- Dielectric constant
- 3.5 · 3.5(21℃)
- 안정성
- 안정적인. 염기, 알코올, 강철, 산화제, 알칼리 금속과 호환되지 않습니다. 수분에 민감합니다. 물과 격렬하게 반응하여 유독가스를 방출함.
- InChI
- 1S/C2Cl2O2/c3-1(5)2(4)6
- InChIKey
- CTSLXHKWHWQRSH-UHFFFAOYSA-N
- SMILES
- ClC(=O)C(Cl)=O
- NIST
- Oxalyl chloride(79-37-8)
- EPA
- Ethanedioyl dichloride (79-37-8)
화학적 성질
colourless liquid with a pungent odour
안전 및 규제
GHS 분류
GHS Classification
Danger
H260 (60%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]
P223, P231+P232, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P402+P404, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 300 reports by companies from 34 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanedioyl dichloride
Ethanedioyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanedioyl dichloride 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: 04-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12537
Oxalyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes corneal damage and dyspnea in inhalation lethal-concentration studies of rats; [RTECS] Decomposed violently by water; A severe skin, eye, and respiratory tract irritant; Toxic; [Merck Index] Reacts violently with water evolving toxic gas; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by inhalation; [Sigma-Aldrich MSDS] See Oxalic acid.
Hazard Classes and CategoriesWater-react. 1 (60%)
CSL Reaction Information
CSL00032
N,N-DIMETHYLFORMAMIDE + OXALYL CHLORIDE
Health Hazard
Harmful,Toxic
Chlorination
Generation of dimethylcarbamoyl chloride (carcinogen). DMCC is also toxic and a severe irritant.
안전 및 보호
Protective Action Criteria (PAC)
0.77 [ppm]
8.5 [ppm]
51 [ppm]
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 1,840 ppm/1hr
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KI2950000
- ridadr
- UN 2927 6.1/PG 2
- HS 번호
- 29171990
- risk_code
- 14-20-29-34-40-23/24/25-37-35-23
- hazard_code
- C,T
- safety_code
- 26-36/37/39-43-45-8-24/25-23-27
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-13137
- F 고인화성물질
- 9-19-21
- 위험 참고 사항
- Toxic/Corrosive/Store Cold/Lacrymatory
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1BWater-react 1
- 스토리지 클래스
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
화학 및 산업
용도 및 제조
UsesUsed as a chlorinating reagent; [Merck Index]
U.S. Production2022: 22,046 lb
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Ethanedioyl dichloride: ACTIVE
응용 분야
용도Oxalyl Chloride is used in the preparation of cardiolipin analogs which induce peroxidase activity by Cytochrome C. It is also used in the preparation of fluorescent indicators for cytosolic calcium.
일반 설명Oxalyl chloride is a commonly used chlorinating reagent that can be prepared by the reaction of oxalic acid and phosphorus pentachloride.
제조 방법
생산 방법Oxalyl Chloride is produced by the reaction of anhydrous oxalic acid and phosphorus pentachloride.
상·하류 제품 정보
상류 원료
하류 제품
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