Diphosphoryl tetrachloride

HCID 4432411

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13498-14-1
표준 SMILES: O=P(Cl)(Cl)OP(=O)(Cl)Cl
InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N
분자식: Cl4O3P2
평균 분자량: 251.8 g/mol
단동위원소 질량: 249.80767784

이름 및 식별자

우선 이름: Diphosphoryl tetrachloride
IUPAC: Diphosphoric tetrachloride
영어명: Diphosphoryl chloride
분자식: Cl4O3P2
분자량: 251.76

이름 및 동의어

Diphosphoryl chloride13498-14-1Diphosphoryl tetrachlorideEINECS 236-824-4DTXSID10159179RefChem:588993DTXCID6081670236-824-4Pyrophosphoryl chlorideDiphosphoryl Chloride 90%MFCD00061542Diphosphoryl Chloride 90per cent

이름 더 보기

Pyrophosphoryl tetrachlorideDiphosphoryl chloridbis(phosphanone) chlorideDiphosphoryl Chloride >diphosphoryl tetrachlorideDiphosphoryl chloride, 90+%

Diphosphoric tetrachlorideCl4O3P2Pyrophosphoryl Chloride; Phosphorodichloridic Anhydride; Phosphorus Chloride Oxide; Pyrophosphoryl Tetrachloride; Tetrachloropyrophosphoric AcidDiphosphoryl chloride, 97%SCHEMBL261403AKOS028109518D2883D90126

데이터베이스 식별자

CAS: 13498-14-1
PubChem CID: 4432411
DTXSID: DTXSID10159179
EC Number: 236-824-4
Nikkaji: J241.152K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: -50 °C · <-50°C
끓는 점: 90 °C12 · 90 °C12 mm Hg(lit.)
밀도: 1.82 g/mL · 1.82 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.476
인화점: 101 °C/10mm · 101°C/10mm
저장 조건: 20 °C · −20°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 무색~담황색
Specific Gravity: 1.82 · 1.82
수용성: 물과 격렬하게 반응함. 대부분의 유기용매와 섞임.
InChI: InChI=1S/Cl4O3P2/c1-8(2,5)7-9(3,4)6
InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N
SMILES: P(Cl)(Cl)(OP(Cl)(Cl)=O)=O

화학적 성질 · 1건

Diphosphoryl chloride is a colorless liquid that produces smoke upon exposure to air and reacts violently with water. At temperatures as low as -30°C, it can react with water to form dichlorophosphoric acid (HPO2C12). The compound is soluble in a variety of solvents, including phosphorus trichloride, phosphorus oxychloride, thionyl chloride, benzene, other hydrocarbons, ether, and nitrobenzene.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 55 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 03-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23367

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

안전 데이터

wgk: 3
ridadr: UN 3264 8/PG 2
HS 번호: 28121049
risk_code: 14-34
hazard_code: C
safety_code: 26-36/37/39-45-60-30-23-20-8
포장분류: II
위험 등급: 8
기존화학 물질: KE-12130
F 고인화성물질: 10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Pyrophosphoryl chloride serves as a reductive chlorination reagent used in the synthesis of quetiapine. It acts as a phosphorylating agent involved in nucleoside synthesis. It plays an important role in Vilsmeier formylation and glyoxylation reactions.