1,3-DI-P-톨릴카르보디이미드

Di-p-tolylcarbodiimide

HCID 69763

기본 정보

CAS: 726-42-1
표준 SMILES: Cc1ccc(N=C=Nc2ccc(C)cc2)cc1
InChIKey: BOSWPVRACYJBSJ-UHFFFAOYSA-N
분자식: C15H14N2
평균 분자량: 222.28 g/mol
단동위원소 질량: 222.11569845

개요

1,3-di(p-tolyl)carbodiimide is a carbodiimide compound having a 4-methylphenyl substituent on both nitrogen atoms. It has a role as a reagent.

이름 및 식별자

우선 이름: Di-p-tolylcarbodiimide
IUPAC: N,N'-bis(4-methylphenyl)methanediimine
현지명: 1,3-DI-P-톨릴카르보디이미드
영어명: 1,3-Di-p-tolylcarbodiimide
분자식: C15H14N2
분자량: 222.29

이름 및 동의어

1,3-Di-p-tolylcarbodiimide726-42-1Di-p-tolylcarbodiimideBis(p-tolyl)carbodiimideN,N'-di-p-Tolylcarbodiimide1,3-di(p-tolyl)carbodiimideBis(4-methylphenyl)carbodiimideCarbodiimide, di-p-tolyl-MFCD00010701N,N'-Bis(p-tolyl)carbodiimideMD5LUY8H5BN,N'-Bis(4-methylphenyl)carbodiimide

이름 더 보기

1,3-DI-P-톨릴카르보디이미드SKL424NSC 20627DI-P-TOLY CARBODIIMIDEDI-PARA-TOLYLCARBODIIMIDEN,N'-DI-P-TOLYLCARBODIMIDE1,3-Bis(p-tolyl)carbodiimide

CHEBI:53093Benzenamine, N,N'-methanetetraylbis[4-methyl-bis(4-methylphenyl)methanediimineNSC-20627N,N'-Methanetetraylbis[4-methylbenzenamine]Benzenamine, N,N'-methanetetraylbis(4-methyl-N,N'-METHANETETRAYLBIS(4-METHYLBENZENAMINE)EINECS 211-971-7

데이터베이스 식별자

CAS: 726-42-1
PubChem CID: 69763
DTXSID

물성

구조 계산 물성

XLogP: 5.3
극성 표면적: 24.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 244

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical diffusion

물리화학적 성질

녹는점: 56 · 56-58 °C (lit.)
끓는 점: 221 · 221-223 °C/20 mmHg (lit.)
밀도: 1.15 · 1.1500
굴절률: 1.5 · 1.5000 (estimate)
저장 조건: 2 · 2-8°C
용해도: soluble in diethyl ether, benzene, pyridine, t-butanol
물리적 상태: powder
주요 응용: 펩타이드 합성
InChI: 1S/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3
InChIKey: BOSWPVRACYJBSJ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)N=C=Nc2ccc(C)cc2

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of:Cyclic guanidinesFive membered heterometallacycloallenesBenzimidazoles or quinazolines via nucleophilic addition and intramolecular C-C bond formationBenzoxazole and benzimidazole derivatives via cross-coupling reactionsGem-difluorodihydrouracil derivatives via addition reactionsReactant for ketene cycloadditions

공급사39 곳

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

山东中图化工有限公司17864755731 · [email protected]

화합물 노트

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 726-42-1
표준 SMILES: Cc1ccc(N=C=Nc2ccc(C)cc2)cc1
InChIKey: BOSWPVRACYJBSJ-UHFFFAOYSA-N
분자식: C15H14N2
평균 분자량: 222.28 g/mol
단동위원소 질량: 222.11569845

개요

1,3-di(p-tolyl)carbodiimide is a carbodiimide compound having a 4-methylphenyl substituent on both nitrogen atoms. It has a role as a reagent.