(-)-1,2-BIS[(2R,5R)-2,5-디메틸포스폴라노]벤젠

Methyl-duphos, (R,R)-

HCID 2734551

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 147253-67-6
표준 SMILES: C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C
InChIKey: AJNZWRKTWQLAJK-KLHDSHLOSA-N
분자식: C18H28P2
평균 분자량: 306.4 g/mol
단동위원소 질량: 306.16662489

이름 및 식별자

우선 이름: Methyl-duphos, (R,R)-
IUPAC: (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
현지명: (-)-1,2-BIS[(2R,5R)-2,5-디메틸포스폴라노]벤젠
영어명: (-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
분자식: C18H28P2
분자량: 306.36

이름 및 동의어

147253-67-6(R,R)-Methyl-DUPHOS(R,R)-Me-DUPHOSMethyl-duphos, (R,R)-(R,R)-MeduphosMethyl-duphos, (-)-(2R,5R)-Me-duphos(R,R)-Me-duphos [MI](-)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzeneUNII-H5W03D1HAQH5W03D1HAQ(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzene

이름 더 보기

(-)-1,2-BIS[(2R,5R)-2,5-디메틸포스폴라노]벤젠an-1-yL()-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzen1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene(-)-1,2-bis-((2R,5R)-2,5-Dimethylphospholano)benzene(-) -1,2-bis ((2R, 5R) -2,5-dimethylphosphorus) benzene

(R,R)-1,2-Bis(2,5-dimethylphospholano)benzeneDTXSID20163641Phospholane, 1,1'-(1,2-phenylene)bis(2,5-dimethyl-, (2R,2'R,5R,5'R)-Phospholane, 1,1'-(1,2-phenylene)bis[2,5-dimethyl-, (2R,2'R,5R,5'R)-RefChem:158117DTXCID5086132604-579-61,2-Bis((2R,5R)-2,5-dimethylphospholan-1-yl)benzene

데이터베이스 식별자

CAS: 147253-67-6
PubChem CID: 2734551
DTXSID: DTXSID20163641
UNII: H5W03D1HAQ
EC Number: 604-579-6

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 277

물리화학적 성질

녹는점: 66 · 66-76 °C
끓는 점: 415 · 415.0±15.0 °C(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 수정 같은
색상: 하얀색
수용성: 물에 불용성.
BRN: 4810602 · 4810602
InChI: 1S/C18H28P2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKey: AJNZWRKTWQLAJK-KLHDSHLOSA-N
SMILES: C[C@@H]1CC[C@@H](C)P1c2ccccc2P3[C@H](C)CC[C@H]3C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2934999090
safety_code: 22-24/25
F 고인화성물질: 10-23
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used as highly efficient privileged ligands.