홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

디클로로아세트산메틸에스테르

Methyl dichloroacetate

HCID 8315
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
116-54-1
표준 SMILES
COC(=O)C(Cl)Cl
InChIKey
HKMLRUAPIDAGIE-UHFFFAOYSA-N
분자식
C3H4Cl2O2
평균 분자량
142.97 g/mol
단동위원소 질량
141.95883473

개요

Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.

이름 및 식별자

우선 이름
Methyl dichloroacetate
IUPAC
methyl 2,2-dichloroacetate
현지명
디클로로아세트산메틸에스테르
영어명
Dichloroacetic acid methyl ester
분자식
C3H4Cl2O2
분자량
142.97

이름 및 동의어

METHYL DICHLOROACETATEDichloroacetic acid methyl esterAcetic acid, 2,2-dichloro-, methyl esterCCRIS 7740NSC 2882EINECS 204-146-8HG7W497BZUUN2299AI3-18187NSC-2882DTXSID2059433UN 2299
이름 더 보기
디클로로아세트산메틸에스테르메틸다이클로로아세트산메틸디클로로아세트산메틸다이클로로아세트산메틸 다이클로로아세테이트TwoMethyl chloroacetatemethyldichloroethanoatemethyl2,2-dichloroacetateDichloroacetic acid methylMethyl Dichloroacetate >Methyl dichloroacetate,purumMETHYL DICHLOROACETATE, 99+%dichloro-aceticacimethylester
ACETIC ACID,DICHLORO,METHYL ESTERDicloroacetato de metiloDichloracetate de methyleRefChem:157843Methyl 2,2dichloroacetateDTXCID6033372Acetic acid, dichloro, methyl esterAcetic acid, 2,2dichloro, methyl ester

데이터베이스 식별자

CAS
116-54-1
PubChem CID
8315
DTXSID
DTXSID2059433
UNII
HG7W497BZU
EC Number
204-146-8
Nikkaji
J38.900E

물성

구조 계산 물성

XLogP
1.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
7
형식 전하
0
복잡도
71.3

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Esters

Flammable agents - 2nd degree

SpringerMaterials PropertiesSchoenflies notation
Density1.3774 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point176 °F (USCG, 1999)
Boiling Point289 °F at 760 mmHg (USCG, 1999)
Melting Point-62 °F (USCG, 1999)
Vapor Pressure4.5 [mmHg]
Physical Description · 2건

Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.

Colorless liquid with an ethereal odor; [CAMEO]

물리화학적 성질

녹는점
-52 °C · -52 °C (lit.)
끓는 점
143 °C · 143 °C (lit.)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Status: Active Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17723

Methyl dichloroacetate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison
Fire Hazards · 2건

Special Hazards of Combustion Products: Produces toxic fumes of phosgene and HCl. (USCG, 1999)

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2건

Extremely destructive to the eyes, nose, throat, and upper respiratory tract. May be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards Summary · 1건

화학 및 산업

용도 및 제조

UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationAcetic acid, 2,2-dichloro-, methyl ester: ACTIVE

응용 분야

용도Dichloroacetic Acid Methyl Ester is used in the preparation of telechelics and block copolymers through living radical polymerization.

일반 설명A colorless liquid with an ethereal odor. Combustible. Flash point 176°F. Corrosive to metals and tissue. Used to make other chemicals.

상·하류 제품 정보

상류 원료

클로로아세트산Trap디클로로아세트산메틸알콜황산

하류 제품

2,2-디클로로-N-[2-하이드록시-1-(하이드록시메틸)-2-[4-(메틸술포닐)페닐]에틸]아세트아미드클로로아세트산염화암페니콜크레아틴인Florfenicol

관련 반응

58건
반응 기록 만들기
HRID 141231 반응식
HRID 141231반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 275892 반응식
HRID 275892반응물로uspto-grants-2002_03
HRID 312139 반응식
HRID 312139반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 324486 반응식
HRID 324486반응물로uspto-grants-2001_04
HRID 407517 반응식
HRID 407517반응물로uspto-grants-2014_06
HRID 407518 반응식
HRID 407518반응물로uspto-grants-2014_06
HRID 407519 반응식
HRID 407519반응물로uspto-grants-2014_06
HRID 407520 반응식
HRID 407520반응물로uspto-grants-2014_06
1 / 8 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
밀도
1.381 g/mL · 1.381 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.442(lit.)
인화점
176 °F · 176 °F
저장 조건
room temp
용해도
4 g/L · 4g/L
물리적 상태
액체
색상
무색의
수소이온지수(pH)
3.8 · 3.8 (4g/l, H2O, 20℃)
수용성
약간 용해됨
BRN
1747542 · 1747542
InChI
1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey
HKMLRUAPIDAGIE-UHFFFAOYSA-N
SMILES
COC(=O)C(Cl)Cl
NIST
Acetic acid, dichloro-, methyl ester(116-54-1)
EPA
2 · Acetic acid, 2,2-dichloro-, methyl ester (116-54-1)

화학적 성질

clear colorless liquid

Reacts with water producing dichloroacetic acid; Corrosive to tissue; [CAMEO] Hydrolyzed evolving corrosive products; Causes severe skin irritation and serious eye injury; Brief contact can causes second- and third-degree skin burns; Inhalation may cause pulmonary edema and chemical pneumonitis; [CHRIS] Causes focal lung fibrosis and GI changes in inhalation lethal-concentration studies of rats; [RTECS] Reacts with water; Causes burns (especially if skin is wet or moist); Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]

DOT ID and Guide2299 156
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsWater-Reactive
Reactivity ProfileMETHYL DICHLOROACETATE produces toxic fumes of phosgene and HCl when heated (USCG, 1999).
DOT Hazard Classification · 4건

Methyl dichloroacetate

UN2299

Div 6.1 Poisonous materials (49 eCFR § 173.132)

PG III: the degree of danger presented by the material is minor

Air and Water ReactionsDecomposed by water to dichloroacetic acid, a corrosive material with evolution of heat (USCG, 1999).
Hazard Classes and Categories · 3건

Skin Irrit. 2 (100%)

Flammable liquids - Category 4

Flammable agents - 2nd degree

안전 및 보호

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Call a physician.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Approved respirator, chemical-resistant gloves, safety goggles or safety faceshield (8 inch minimum), other protective clothing. (USCG, 1999)
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 2,000 ppm/30min

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AG6625000
ridadr
UN 2299
HS 번호
29154000
risk_code
20-36/37/38-40-38-11
hazard_code
Xn,Xi,F
safety_code
26-36-37/39-16-24-9
포장분류
III
위험 등급
6.1
기존화학 물질
KE-23755
Hazard Classifications
Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
메틸 트라이클로로아세트산