CAS 61478-29-3 (2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine (HCID 10939369)

기본 정보

CAS: 61478-29-3
표준 SMILES: c1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1
InChIKey: PQHKXSOICTYGQD-OUTSHDOLSA-N
분자식: C29H29NP2
평균 분자량: 453.5 g/mol
단동위원소 질량: 453.17752392

이름 및 식별자

우선 이름: (2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine
IUPAC: [(3S,5S)-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane
현지명: (2S,4S)-4-디페닐포스피노2-디페닐포스피노메틸피롤리딘
영어명: (2S,4S)-4-Diphenylphosphino 2-diphenylphosphinomethyl pyrrolidine
분자식: C29H29NP2
분자량: 453.49

이름 및 동의어

(2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine(2S,4S)-4-(Diphenylphosphino)-2-((diphenylphosphino)methyl)pyrrolidine(2s,4s)-4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidineRefChem:398972634-714-461478-29-3MFCD01630791MFCD00010275(2S,4S)-4-(diphenylphosphanyl)-2-((diphenylphosphanyl)methyl)pyrrolidine[(3S,5S)-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphaneC29H29NP2(2s,4s)-4-diphenylphosphino-2-diphenylphosphino-methylpyrrolidine

이름 더 보기

(2S,4S)-4-디페닐포스피노2-디페닐포스피노메틸피롤리딘PPM(-)-PPM(2S,4S)-PPM(2S 4S)-(-)-4-(DIPHENYLPHOSPHINO)-2-(DI&(S)-4-Diphenylphosphino-2-(Diphenylphosphino)pyrrolidine(diphenylphosphino)-2-(diphenylphosphinomethyl)pyrrolidine[2-(diphenylphosphinomethyl)-1-pyrrolidinyl]-diphenylphosphine(2S,4S)-2-Diphenylphosphinomethyl-4-(diphenylphosphino)pyrrolidine

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 7
무거운 원자 수: 32
형식 전하: 0
복잡도: 493

물리화학적 성질

녹는점: 102 · 102-104 °C(lit.)
끓는 점: 575.8 · 575.8±35.0 °C(Predicted)
저장 조건: 0 · 0-6°C
산도 계수 (pKa): 9.87 · 9.87±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
InChI: InChI=1S/C29H29NP2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-29(22-30-24)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29-30H,21-23H2/t24-,29-/m0/s1
InChIKey: PQHKXSOICTYGQD-OUTSHDOLSA-N
SMILES: N1C[C@@H](P(C2=CC=CC=C2)C2=CC=CC=C2)C[C@H]1CP(C1=CC=CC=C1)C1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (97.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.；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.