CAS 622-15-1 N,N'-Diphenylformamidine (HCID 94888)

이름 및 식별자

우선 이름: N,N'-Diphenylformamidine
IUPAC: N,N'-diphenylmethanimidamide
영어명: N,N'-Diphenylformamidine
분자식: C13H12N2
분자량: 196.25

이름 및 동의어

N,N'-DiphenylformamidineN,N'-DiphenylmethanimidamideMethanimidamide, N,N'-diphenyl-N,N'-DiphenylformamideneN,N'-DiphenymethanimidamideEINECS 210-720-9AI3-01807NSC 6789DTXSID8060745RefChem:161024DTXCID1043257Formamidine, N,N'-diphenyl-(6CI,7CI,8CI)

이름 더 보기

DIPHENYLFORMAMIDINELABOTEST-BB LTBB000577N’N-Diphenylformamidinen,n’-diphenyl-formamidinn,n’-diphenylformamidenen,n′-diphenylformamidineN1,N2-diphenylformamidine

210-720-9ZQUVDXMUKIVNOW-UHFFFAOYSA-N622-15-1N,N'-Diphenylformimidamide(E)-N,N'-diphenylformimidamideMFCD00003026Formamidine, N,N'-diphenyl-148651-26-7

데이터베이스 식별자

CAS: 622-15-1
PubChem CID: 94888
DTXSID: DTXSID8060745
UNII: 8KKX998CU5
EC Number: 210-720-9
Nikkaji: J3.734.572E、J37.751A

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 24.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 189

실험 및 물리화학적 성질

Kovats Retention Index1933

물리화학적 성질

녹는점: 136 · 136-139 °C(lit.)
끓는 점: 323.14 °C · 323.14°C (rough estimate)
밀도: 1.1265 · 1.1265 (rough estimate)
굴절률: 1.5014 · 1.5014 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정질 분말 또는 결정
산도 계수 (pKa): 7.7 · 7.70±0.10(Predicted)
색상: 흰색에서 노란색, 베이지색으로
BRN: 511953 · 511953
InChI: 1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)
InChIKey: ZQUVDXMUKIVNOW-UHFFFAOYSA-N
SMILES: N(\C=N\c1ccccc1)c2ccccc2
NIST: N,n'-diphenylformamidine(622-15-1)
EPA: N,N'-Diphenylformamidine (622-15-1)

화학적 성질

white to yellowish crystals or cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 7 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: PB7705000
HS 번호: 29215900
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25
F 고인화성물질: 10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationMethanimidamide, N,N'-diphenyl-: ACTIVE

응용 분야

용도N,N''-Diphenylformamidine is used in the preparation of polyfluoro benzoxazole polymethine dyes which are used as fluorescent labels for biomolecules.

일반 설명N,N′-Diphenylformamidine is an N,N-disubstituted formamide and it forms adducts with phosgeneand oxalyl chloride.