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클로로탄산 페닐에스테르

Phenyl chloroformate

HCID 15891
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1885-14-9
표준 SMILES
O=C(Cl)Oc1ccccc1
InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-N
분자식
C7H5ClO2
평균 분자량
156.56 g/mol
단동위원소 질량
155.9978071

개요

Phenyl chloroformate appears as a colorless liquid with a strong odor. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes. Used to make other chemicals.

이름 및 식별자

우선 이름
Phenyl chloroformate
IUPAC
phenyl carbonochloridate
현지명
클로로탄산 페닐에스테르
영어명
Phenyl chloroformate
분자식
C7H5ClO2
분자량
156.57

이름 및 동의어

PHENYL CHLOROFORMATE1885-14-9phenyl carbonochloridatePhenyl chlorocarbonateChloroformic acid phenyl esterCarbonochloridic acid, phenyl esterPhenoxycarbonyl chlorideFormic acid, chloro-, phenyl esterPHENYLCHLOROFORMATEFenylester kyseliny chlormravenciTL 398DTXSID9044403
이름 더 보기
클로로탄산페닐에스테르페닐클로로포름산페닐클로로폼산페닐클로로포름산(PHENYLCHLOROFORMATE)CARBONOCHLORIDIC ACIDchlorocarbonic acidPHENYL CHLOROFORMATPhenyl choroformatePHENYL CHLOROFORMATE / CHLOROFORMIC ACID PHENYL ESTERtl398
phenyloxycarbonyl chloride6TND0D6D3YPHENYLCHLOROFORMIC ACIDNSC-210946DTXCID7024403RefChem:172952217-547-8Carbonochloridic acid phenyl ester

데이터베이스 식별자

CAS
1885-14-9
PubChem CID
15891
DTXSID
DTXSID9044403
UNII
6TND0D6D3Y
EC Number
217-547-8
Nikkaji
J33.963F

물성

구조 계산 물성보충 중

XLogP
2.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10
형식 전하
0
복잡도
119

실험 및 물리화학적 성질

Chemical Classes · 2건

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 2nd degree

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density · 3건

Density (at 20 °C): 1.2 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00

1.244 @25 °C

SolubilitySolubility in water: reaction
Flash Point69 °C c.c.
Boiling Point188-189 °C
Melting Point-28 °C
Vapor DensityRelative vapor density (air = 1): 5.41
Vapor Pressure · 3건

0.67 [mmHg]

Vapor pressure, Pa at 20 °C: 90

63.074 [mm Hg] @20 °C

Physical Description · 3건

Phenyl chloroformate appears as a colorless liquid with a strong odor. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes. Used to make other chemicals.

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

H290 (60.1%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, 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 188 reports by companies from 18 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 · 4건

Chemical: Carbonochloridic acid, phenyl ester

REACH registered substance: Phenyl chloroformate (EC: 217-547-8)

Phenyl chloroformate: 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.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelPoison Corrosive
Fire Hazards · 3건

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

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

Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 69 °C explosive vapour/air mixtures may be formed.

Health Hazards · 2건

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

화학 및 산업

용도 및 제조

UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationCarbonochloridic acid, phenyl ester: ACTIVE
응용 분야 · 2건

용도Phenyl chloroformate is used in the synthesis of poly(2-(phenoxycarbonyloxy)ethyl methacrylate) and phenyl-(4-vinylphenyl) carbonate. It acts as a precursor of phenyl mixed anhydrides which are used in peptide coupling reactions. It serves as a dehydrating reagent for the conversion of primary amides to nitriles and an intermediate in the synthesis of pharmaceuticals and carbamates.

일반 설명Phenyl chloroformate appears as a colorless liquid with a strong odor. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes. Used as a reagent for organic synthesis.

제조 방법 · 1건

Phenyl chloroformate is synthesized by the reaction of phenol with phosgene. Phenol was dissolved in chloroform, phosgene was introduced under cooling, and the absorbed phosgene was in an equal molar ratio to phenol, and equimolar N,N-dimethylaniline was added dropwise under stirring at 5-10 °C. Then add cold water to dilute, separate the oil layer, wash with dilute hydrochloric acid and water successively. After drying with anhydrous calcium chloride, chloroform is evaporated, and then distilled under reduced pressure to collect 74-75°C (1.73kPa) fraction, which is phenyl chloroformate. The yield is about 90%.

상·하류 제품 정보

상류 원료

트리포스겐염화칼슘페놀N,N-디메틸아닐린

관련 반응

2,465건
반응 기록 만들기
HRID 1480 반응식
HRID 1480반응물로uspto-grants-1998_03
HRID 4041 반응식
HRID 4041반응물로uspto-grants-1988_02
HRID 4045 반응식
HRID 4045반응물로uspto-grants-1988_02
HRID 4047 반응식
HRID 4047반응물로uspto-grants-1988_02
HRID 4099 반응식
HRID 4099반응물로uspto-grants-1988_02
HRID 4103 반응식
HRID 4103반응물로uspto-grants-1988_02
HRID 4105 반응식
HRID 4105반응물로uspto-grants-1988_02
HRID 4196 반응식
HRID 4196반응물로uspto-grants-1988_02
1 / 309 페이지

화합물 노트

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Colorless liquid with a pungent odor; [ICSC]

COLOURLESS-TO-LIGHT-YELLOW LIQUID WITH PUNGENT ODOUR.

Autoignition Temperature540 °C

물리화학적 성질

녹는점
-28 °C · -28 °C
끓는 점
74 · 74-75 °C/13 mmHg (lit.)
밀도
1.248 g/mL · 1.248 g/mL at 25 °C (lit.)
증기 밀도
1 · 1 (vs air)
증기압
1.22 psi · 1.22 psi ( 20 °C)
굴절률
20 · n20/D 1.511(lit.)
인화점
168 °F · 168 °F
저장 조건
2 · 2-8°C
용해도
N,N-디메틸포름아미드와 혼합 가능.
물리적 상태
액체
색상
투명한
수용성
가수 분해
BRN
606778 · 606778
InChI
1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-N
SMILES
ClC(=O)Oc1ccccc1
NIST
Carbonochloridic acid, phenyl ester(1885-14-9)
EPA
Carbonochloridic acid, phenyl ester (1885-14-9)

화학적 성질

clear oily liquid. Corrosive. Insoluble in water, soluble in ethanol, ether, easily soluble in petroleum ether.

· 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

Decomposed by water producing hydrogen chloride and phenol; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; [ICSC] Reacts with water evolving hydrogen chloride; Fumes in moist air releasing hydrogen chloride; A strong skin and eye irritant; [CAMEO] A skin irritant; Corrosive to eyes; [eChemPortal: ERMA] Reacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See CHLOROFORMATES.

DOT ID and Guide2746 156
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
UN ClassificationUN Hazard Class: 6.1; UN Subsidiary Risks: 8; UN Pack Group: II
Reactivity AlertsWater-Reactive
Reactivity Profile · 1건

PHENYL CHLOROFORMATE is incompatible with strong oxidizing agents, alcohols, amines, alkali. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Chemical DangersDecomposes on heating and on contact with water and moisture. This produces toxic and corrosive fumes including hydrogen chloride and phenol. Reacts violently with acids, alcohols, amines, bases, oxidants and metals.

안전 및 보호

Fire Fighting · 2건

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

NO water. Use dry powder, carbon dioxide, alcohol-resistant foam.

First Aid Measures · 4건

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.

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

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

General First Aid:

Safe StorageDry. Well closed. Ventilation along the floor. Separated from acids, alcohols, amines, bases, oxidants and food and feedstuffs. Store in an area without drain or sewer access.
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)]:
Spillage Disposal · 1건

Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable plastic containers. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2건

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

Immediate precautionary measure

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Above 69 °C use a closed system and ventilation.
Inhalation RiskA harmful contamination of the air will be reached quickly on evaporation of this substance at 20 °C.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion. Serious local effects on contact with eyes and skin.
Signs and Symptoms · 4건

Sore throat. Burning sensation. Cough. Laboured breathing. Shortness of breath. Symptoms may be delayed.

Redness. Pain. Skin burns.

Redness. Pain. Severe burns.

Burning sensation in the mouth and in the throat and chest. Sore throat. Abdominal pain. Diarrhoea. Shock or collapse.

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Toxicity DataLCLo (rat) = 44 ppm/4h

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
FG3850000
ridadr
UN 2746
독성
LD50 orally in Rabbit: 1730 mg/kg LD50 dermal Rabbit 4880 mg/kg
HS 번호
29159020
risk_code
22-26-34-41-38-29-37
hazard_code
T+
safety_code
26-28-36/37/39-45-28A
포장분류
II
위험 등급
6.1
기존화학 물질
97-3-86
F 고인화성물질
10-19-21
자연 발화 온도
540 °C
Hazard Classifications
Acute Tox. 1 InhalationAcute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
디클로로메탄

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