벤질 클로로탄소산
Benzyl chloroformate
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기본 정보
- CAS
501-53-1- 표준 SMILES
O=C(Cl)OCc1ccccc1- InChIKey
HSDAJNMJOMSNEV-UHFFFAOYSA-N- 분자식
- C8H7ClO2
- 평균 분자량
- 170.59 g/mol
- 단동위원소 질량
- 170.01345714
개요
Benzyl chloroformate appears as a colorless liquid with an acrid odor. Vapors irritate eyes and mucous membranes. Corrosive to metals and tissue. Long-term inhalation of low concentrations or short-term inhalation of high concentrations can result in adverse health effects.
이름 및 식별자
- 우선 이름
- Benzyl chloroformate
- IUPAC
- benzyl carbonochloridate
- 현지명
- 벤질 클로로탄소산
- 영어명
- Benzyl chloroformate
- 분자식
- C8H7ClO2
- 분자량
- 170.59
이름 및 동의어
BENZYL CHLOROFORMATE501-53-1Benzyl carbonochloridateCarbobenzoxy chlorideBenzyl chlorocarbonateBenzylcarbonyl chlorideBenzyloxycarbonyl chlorideCarbobenzyloxy chlorideCarbonochloridic acid, phenylmethyl esterChloroformic Acid Benzyl EsterChloroformic acid, benzyl esterBenzylcarbonochloridate
이름 더 보기
벤질클로로탄소산벤질클로로탄소산CBZBCFZ-CLBenzyl ChlorofomateCBZCIZ-CHLORIDE
Formic acid, chloro-, benzyl esterDTXSID9027158170BP0DD31NSC-83466DTXCID607158RefChem:118863207-925-0Cbz chloride
데이터베이스 식별자
- CAS
501-53-1- PubChem CID
- 10387
- DTXSID
DTXSID9027158- ChEMBL
CHEMBL1581748- UNII
- 170BP0DD31
- EC Number
- 207-925-0
- Nikkaji
- J6.192A
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 130
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesChemical shift
Odor
ACRID ODOR
ODOR OF PHOSGENE
SHARP, PENETRATING ODOR
Density
1.22 at 68 °F (USCG, 1999) - Denser than water; will sink
1.2166 20 °C/4 °C
Relative density (water = 1): 1.20
1.2166 @ 20°C
Viscosity2.57 mPa-s (cP) @ 20 °C
Color/Form
OILY LIQUID
COLORLESS TO PALE YELLOW LIQUID
Solubility
SOL IN ETHER, ACETONE, BENZENE
Solubility in water: reaction
CorrosivityCorrosive
Flash Point
227 °F Vigorous decomposition occurs at these temperatures; thus these values are anomalous due to the effect of the decomp. products (benzyl chloride and CO2). (USCG, 1999)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.6% (1 of 173) of reports.
Danger
H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: Carbonochloridic acid, phenylmethyl ester
Carbonochloridic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, phenylmethyl ester 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: 02-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/12078
Benzyl 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 LabelCorrosive
Fire Hazards
Special Hazards of Combustion Products: Toxic phosgene, hydrogen chloride, and benzyl chloride vapors may form.
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
화학 및 산업
용도 및 제조
Uses
Used to make pharmaceuticals and other chemicals; [HSDB]
In peptide synthesis to block the amino group.
Reactive intermediate to pharmaceuticals and other chemicals.
ImpuritiesMay contain 3% or less benzyl chloride
U.S. Production2023: 631,297 lb
Consumption PatternsAPPROX 100% AS A REAGENT IN /PRC: ORGANIC/ SYNTHESIS
Consumer UsesTerminator/Blocker
Industry UsesTerminator/Blocker
Methods of Manufacturing/IT IS PREPARED/ ... BY ACTION OF PHOSGENE ABSORBED IN TOLUENE ON BENZYL ALCOHOL: CARTER ET AL, ORG SYN 23, 13 (1943); BY REACTING CARBONYL CHLORIDE & BENZYL ALCOHOL @ -20 TO -30 °C
Formulations/Preparations
GRADE OR PURITY: 97+%
Typical specifications of commercial chloroformates: purity, 98%; phosgene, <0.1%, iron, <10 ppm; acidity as HCl, <0.1%; alcohol or phenol, <2% /Chloroformic esters/
Commercial products have concentrations of 97-99 wt% /Chloroformic esters/
97%; 50 wt% in toluene
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Carbonochloridic acid, phenylmethyl ester: ACTIVE
Most chloroformate production is used captively and production figures are not available /Chloroformic esters/
응용 분야
개요Benzyl chloroformate, also known as benzyl chlorocarbonate or Z-chloride, is the benzyl ester of chloroformic acid. It can be also described as the chloride of the benzyloxycarbonyl (Cbz or Z) group. In its pure form it is a water-sensitive oily colorless liquid, although impure samples usually appear yellow. It possesses a characteristic pungent odor and degrades in contact with water. The compound was first prepared by Leonidas Zervas in the early 1930s who used it for the introduction of the benzyloxycarbonyl protecting group, which became the basis of the Bergmann-Zervas carboxybenzyl method of peptide synthesis he developed with Max Bergmann. This was the first successful method of controlled peptide chemical synthesis and for twenty years it was the dominant procedure used worldwide until the 1950s. To this day, benzyl chloroformate is often used for amine group protection.
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