CAS 51766-21-3 Phosphoramidochloridic acid, N-phenyl-, phenyl ester (HCID 103959)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51766-21-3
표준 SMILES: O=P(Cl)(Nc1ccccc1)Oc1ccccc1
InChIKey: ZUQYQPGYEFBITH-UHFFFAOYSA-N
분자식: C12H11ClNO2P
평균 분자량: 267.65 g/mol
단동위원소 질량: 267.0215929

개요

causes inactivation of penicillin acylase, beta-lactamase & chymotrypsin

이름 및 식별자

우선 이름: Phosphoramidochloridic acid, N-phenyl-, phenyl ester
IUPAC: N-[chloro(phenoxy)phosphoryl]aniline
영어명: Phenyl N-phenylphosphoramidochloridate
분자식: C12H11ClNO2P
분자량: 267.65

이름 및 동의어

51766-21-3Phenyl N-phenylphosphoramidochloridateDTXSID00966071PPPACRefChem:862370DTXCID701393722Phosphoramidochloridic acid, N-phenyl-, phenyl ester257-400-5phenyl phenylphosphoramidochloridatephenoxy(phenylamino)phosphinoyl chlorideN-[chloro(phenoxy)phosphoryl]anilineC12H11ClNO2P

이름 더 보기

3P-CLTIMTEC-BB SBB003052PHENYL N-PHENYL-CHLORO-PHOSPHORAMIDATEO-Phenyl N-phenylphosphoramidochloridateN-Phenylphosphoramidochloridic acid phenylPHENYL N-PHENYLPHOSPHORAMIDOCHLORIDATE, 99%+Phenylphosphoramidochloridic acid phenyl ester

EINECS 257-400-5SCHEMBL2623ZUQYQPGYEFBITH-UHFFFAOYSA-phenylphenylphosphoramidochloridatePhenyl-N-phenylchlorophosphoramidateSTR06612MFCD00003029N-(chloro-(phenoxy)phosphoryl)aniline

데이터베이스 식별자

CAS: 51766-21-3

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 276

물리화학적 성질

녹는점: 132 · 132-134 °C(lit.)
끓는 점: 366 ℃ · 366℃
밀도: 1.363 · 1.363
인화점: 175 ℃ · 175℃
저장 조건: Store at room temperature
용해도: sol org solvents, e.g. acetone, dichloromethane.
물리적 상태: 고체
색상: white

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야 · 1건

용도Phenyl N-Phenylphosphoramidochloridate is a phosphorylating agent in oligonucleotide synthesis via the phosphotriester approach; for the conversion of acids to their symmetrical anhydrides and for the coupling of acids and amines to give amides; two important derivatives are also considered.