2,3-Dicyanohydroquinone (HCID 78467)

이름 및 식별자

우선 이름: 2,3-Dicyanohydroquinone
IUPAC: 3,6-dihydroxybenzene-1,2-dicarbonitrile
영어명: 3,6-Dihydroxyphthalonitrile
분자식: C8H4N2O2
분자량: 160.13

이름 및 동의어

2,3-Dicyanohydroquinone3,6-Dihydroxyphthalonitrile4733-50-01,2-Benzenedicarbonitrile, 3,6-dihydroxy-Phthalonitrile, 3,6-dihydroxy-TTR9Y6YSS82,3-dicyano-hydroquinoneNSC-435541,4-dihydroxyphthalonitrile3,6-Dihydroxy-1,2-benzenedicarbonitrileDTXSID80197109RefChem:442078

이름 더 보기

DCHDCHQRARECHEM AQ BD 00153,6-DihydroxyphthaloN#Cc1c(O)ccc(O)c1C#N2,3-dicyanohydroquinme2,3-Dicynohydroquinone3,6-DIHYDROXYPHTHONITRILE2,3-Dicyanohydroquinone>

1,4-DHPN2,3-DCHQDTXCID40119600225-241-03,6-dihydroxybenzene-1,2-dicarbonitrile2,3-Dicyano-p-hydroquinone3,6-Dihydroxyphthalodinitrile2,3-Dicyanobenzene-1,4-diol

데이터베이스 식별자

CAS: 4733-50-0
PubChem CID: 78467
DTXSID: DTXSID80197109
UNII: TTR9Y6YSS8
EC Number: 225-241-0
Nikkaji: J30.864A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 88 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 231

물리화학적 성질

녹는점: 230 °C · >230 °C (dec.) (lit.)
끓는 점: 286.01 °C · 286.01°C (rough estimate)
밀도: 1.3848 · 1.3848 (rough estimate)
굴절률: 1.49 · 1.4900 (estimate)
저장 조건: 30 °C · Store below +30°C.
산도 계수 (pKa): 6.21 · 6.21±0.23(Predicted)
물리적 상태: 결정질 분말 또는 바늘
색상: 카키색부터 브라운까지
수용성: 뜨거운 물에 용해됨
BRN: 2101249 · 2101249
InChI: InChI=1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H
InChIKey: MPAIWVOBMLSHQA-UHFFFAOYSA-N
SMILES: C1(C#N)=C(O)C=CC(O)=C1C#N

화학적 성질

khaki-colored to brown crystalline powder or

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 5 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

Regulatory Information2,3-Dicyanohydroquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (89.1%)

규제 정보

Regulatory Information2,3-Dicyanohydroquinone: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG III
HS 번호: 29269090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,3-Dicyanohydroquinone was used in the synthesis of phthalonitrile-3,6-ditriflate. It is a fluorescent dye and was used in determination of intracellular pH and calcium in avian neural crest cells.