디메틸아미노황삼불화물

Sulfur, trifluoro(N-methylmethanaminato)-

HCID 123203CAS 3880-03-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)S(F)(F)F
InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N
분자식: C2H6F3NS
평균 분자량: 133.14 g/mol
단동위원소 질량: 133.01730485

이름 및 식별자

우선 이름: Sulfur, trifluoro(N-methylmethanaminato)-
IUPAC: N-methyl-N-(trifluoro-λ4-sulfanyl)methanamine
현지명: 디메틸아미노황삼불화물
영어명: DIMETHYLAMINOSULFUR TRIFLUORIDE
분자식: C2H6F3NS
분자량: 133.14

이름 및 동의어

3880-03-3(Dimethylamino)sulfur trifluorideSulfur, trifluoro(N-methylmethanaminato)-DTXSID30192068Trifluoro(N-methylmethanaminato)sulfurRefChem:889728DTXCID40114559627-719-8Dimethylaminosulfur trifluorideMethyl DASTN-methyl-N-(trifluoro-lambda4-sulfanyl)methanamineC2H6F3NS

이름 더 보기

디메틸아미노황삼불화물DIMETHYLAMINOSULPHUR TRIFLUORIDEDimethylaminosulphurtrifluoride97%Dimethylaminosulphur trifluoride 97%Dimethylaminosulfur trifluorideMethyl DASTSulfur, trifluoro(N-methylmethanaminato)-, (T-4)-N-methyl-N-(trifluoro-$l^{4}-sulfanyl)methanamine

SCHEMBL64578Dimethylamino sulfur trifluoride(dimethylamino)-sulfur trifluoride(Dimethylamino)trifluorosulfur(IV)MFCD00009900SBB085832(N,N-Dimethylamino)sulfur trifluorideAKOS015894993

데이터베이스 식별자

CAS: 3880-03-3
PubChem CID: 123203
DTXSID: DTXSID30192068
EC Number: 627-719-8
Nikkaji: J657.486F

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 4.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 58.4

실험 및 물리화학적 성질

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: -78.7 °C · -78.7 °C (lit.)
끓는 점: 117.5 °C · 117.5 °C (lit.)
밀도: 1.364 g/mL · 1.364 g/mL at 25 °C (lit.)
인화점: 50 °F · 50 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): -5.36 · -5.36±0.70(Predicted)
BRN: 1901089 · 1901089
InChI: 1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3
InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N
SMILES: CN(C)S(F)(F)F

화학적 성질

clear fuming liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 2920 8/PG 1
HS 번호: 29309099
risk_code: 11-20/21/22-35
hazard_code: F,C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 4.6
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도Fluorinating Agent used in the fluorination of compounds such asAlchols, aldehydes and ketonesFluorinated Podophyllotoxin derivativesProtected glycosyl fluorides from thioglycosides