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Methyl triflate

HCID 9526
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
333-27-7
표준 SMILES
COS(=O)(=O)C(F)(F)F
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
분자식
C2H3F3O3S
평균 분자량
164.11 g/mol
단동위원소 질량
163.97549962

개요

Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.

이름 및 식별자

우선 이름
Methyl triflate
IUPAC
methyl trifluoromethanesulfonate
영어명
Methyl trifluoromethanesulfonate
분자식
C2H3F3O3S
분자량
164.1

이름 및 동의어

Methyl trifluoromethanesulfonate333-27-7Methyl triflateMethyl trifluoromethanesulphonateMethanesulfonic acid, trifluoro-, methyl esterDTXSID60492727B25Z22EPVNSC-270679DTXCID1029128Trifluoromethanesulfonic acid, methyl esterRefChem:158046206-371-7
이름 더 보기
TfOMeMethyl trifluoromethanesulfateMethyl trifluoroMethanesulfonaMethyl trifluoromethanesulfotemethyltrifluoromethanesulfinateMETHYL TRIFLUROMETHANESULFONATE
Trifluoromethanesulfonic Acid Methyl EsterMethyl trifluoromethane sulfonateC2H3F3O3SMeOTfMFCD00000409methyl-13c trifluoromethanesulfonatetrifluoro-methanesulfonic acid methyl esterMethanesulfonic acid, 1,1,1-trifluoro-, methyl ester

데이터베이스 식별자

CAS
333-27-7
PubChem CID
9526
DTXSID
DTXSID6049272
ChEMBL
CHEMBL3185488
UNII
7B25Z22EPV
EC Number
206-371-7
Nikkaji
J193.765K

물성

구조 계산 물성

XLogP
0.9
극성 표면적
51.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
9
형식 전하
0
복잡도
172

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
Density · 2건

1.45 at 68 °F (NTP, 1992) - Denser than water; will sink

1.45 @25 °C

SolubilityInsoluble (NTP, 1992)
Flash Point101 °F (NTP, 1992)
Boiling Point201 to 210 °F at 760 mmHg (NTP, 1992)
Physical Description · 2건

Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.

Brown liquid; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

끓는 점
94 · 94-99 °C(lit.)
밀도
1.45 g/mL · 1.45 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.326(lit.)
인화점

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Methanesulfonic acid, trifluoro-, methyl ester

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

DOT LabelFlammable Liquid Corrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Trifluoromethanesulfonic acid. See Ethyl methanesulfonate.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

METHYL TRIFLUOROMETHANE SULFONATE is sensitive to heat. (NTP, 1992). Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

화학 및 산업

용도 및 제조

UsesUsed as a reagent for the methylation of sugars; [NTP]
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, methyl ester: ACTIVE

응용 분야

용도Methyl trifluoromethanesulfonate is used as a powerful methylating reagent in chemistry. Further, it is used in the conversion of amines to methyl ammonium triflates. In addition, it is also used in Suzuki reaction.

일반 설명Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.

상·하류 제품 정보

상류 원료

트리플루오로메탄술폰산메틸알콜염화 티오닐디메틸설페이트

하류 제품

7,10-Dimethoxy-10-DAB IIIN-메틸라닐린염산염5-메톡시-3,4-디하이드로-1(2H)-이소퀴놀리논4-디플루오로메톡시페닐보론산피나콜에스테르

관련 반응

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
101 °F · 101 °F
저장 조건
2 · 2-8°C
용해도
클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태
액체
Specific Gravity
1.45 · 1.450
색상
무색~황색으로 투명함
BRN
774772 · 774772
안정성
흡습성, 수분 민감성, 휘발성
InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
SMILES
C(F)(F)(F)S(OC)(=O)=O
EPA
Methyl trifluoromethanesulfonate (333-27-7)

화학적 성질

clear colourless to yellow liquid

Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 및 보호

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC) · 3건

22 [mg/m3]

240 [mg/m3]

1400 [mg/m3]

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
HS 번호
29049020
risk_code
10-34-20/21/22
hazard_code
C,T
safety_code
26-36/37/39-45-16
포장분류
III
위험 등급
3.2
F 고인화성물질
10
위험 참고 사항
Highly Toxic/Corrosive
Hazard Classifications
Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스
3 - Flammable liquids
이소티오시안산메타토릴에스테르
4-브로모-2-메틸티아졸
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
브롬화 메틸
(4-Fluoro-benzyl)-methyl-amine