2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one

HCID 237010CAS 5381-99-7

기본 정보

표준 SMILES: O=C1OP(Cl)Oc2ccccc21
InChIKey: BVOITXUNGDUXRW-UHFFFAOYSA-N
분자식: C7H4ClO3P
평균 분자량: 202.53 g/mol
단동위원소 질량: 201.9586587

이름 및 식별자

우선 이름: 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
IUPAC: 2-chloro-1,3,2-benzodioxaphosphinin-4-one
영어명: 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
분자식: C7H4ClO3P
분자량: 202.53

이름 및 동의어

2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-oneRefChem:469109629-555-25381-99-72-chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one2-chloro-1,3,2-benzodioxaphosphinin-4-oneC7H4ClO3PVan Boom's ReagentMFCD00013353NSC402092-chloro-4h-1,3,2-benzodioxaphosphinin-4-one4H-1,3,2-Benzodioxaphosphorin-4-one, 2-chloro-

이름 더 보기

Salicyl Phosphorochloridite2-CHLORO-1,3,2-BENZODIOXAPHOSPHORIN-4-ONESalPClNSC 40209ChloroHbenzodioxaphosphorinoneSalicylchlorophosphite Van Boom's Reagent

2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one2-chloro-4h-1,2,3-benzodioxaphosphorin-4-oneNSC-40209D893702-Chloro-1,3,2-benzodioxaphosphorin-4-one, 95%Salicylchlorophosphite2-Chloro-4H-1,2,3-benzodioxaphosphorin-4-one 90per cent2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one (90%)

데이터베이스 식별자

CAS: 5381-99-7
PubChem CID: 237010
DTXSID: DTXSID10285003
EC Number: 629-555-2
Nikkaji: J26.477F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 199

물리화학적 성질

녹는점: 36 · 36-40 °C (lit.)
끓는 점: 127 · 127-128 °C/11 mmHg (lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 아세토니트릴, 디클로로메탄, 테트라히드로푸론 및 디메틸포름아미드에 용해됩니다.
물리적 상태: 고체
색상: White or Colorless to Orange to Green
BRN: 1311951 · 1311951
안정성: 물에 민감한
InChI: InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H
InChIKey: BVOITXUNGDUXRW-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C(=O)OP1Cl

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 1
HS 번호: 29349990
risk_code: 14-34-37
hazard_code: C
safety_code: 26-36/37/39-43-45
포장분류: II
위험 등급: 8
F 고인화성물질: 3-10
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one is a reagent used in phosphorylation and phosphitylation of alcohols and in the formation of H-phosphonates. It is also reactive cyclic phosphitylating reagent involved in fast coupling rates and hydrolytic cleavage more readily compare to that of a acyclic analog.