1,4-디시아노나프탈렌

Naphthalene-1,4-dicarbonitrile

HCID 76414

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3029-30-9
표준 SMILES: N#Cc1ccc(C#N)c2ccccc12
InChIKey: BENSWQOUPJQWMU-UHFFFAOYSA-N
분자식: C12H6N2
평균 분자량: 178.19 g/mol
단동위원소 질량: 178.05309819

이름 및 식별자

우선 이름: Naphthalene-1,4-dicarbonitrile
IUPAC: naphthalene-1,4-dicarbonitrile
현지명: 1,4-디시아노나프탈렌
영어명: 1,4-Dicyanonaphthalene
분자식: C12H6N2
분자량: 178.19

이름 및 동의어

Naphthalene-1,4-dicarbonitrile3029-30-91,4-NaphthalenedicarbonitrileEINECS 221-197-1DTXSID00184374NSC 128542RefChem:831854DTXCID10106865221-197-11,4-DicyanonaphthaleneMFCD03093626HP6DS2Q5U8

이름 더 보기

1,4-디시아노나프탈렌1,4-Dcyanonaphthalene1,4-Dicyanonaphthalene>Naphthalin-1,4-dicarbonitril1,4-NphthalenedicarbonitrileNAPHTHALENE-1,4-DICARBONITRILE, 98+%

NSC-128542NSC128542UNII-HP6DS2Q5U8ghl.PD_Mitscher_leg0.246SCHEMBL151936SCHEMBL4940405SCHEMBL29489135AKOS022505305

데이터베이스 식별자

CAS: 3029-30-9
PubChem CID: 76414
DTXSID: DTXSID00184374
UNII: HP6DS2Q5U8
EC Number: 221-197-1
Nikkaji: J205.334I

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 271

물리화학적 성질

녹는점: 209 · 209-211°C
끓는 점: 401.2 · 401.2±28.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 1870226 · 1870226

화학적 성질 · 1건

1,4-Dicyanonaphthalene [3029-30-9], naphthalene-1,4-dicarboxylic acid dinitrile, Mr 178.18, mp 208℃, crystallizes in long, colorless needles. 1,4-Dicyanonaphthalene is produced by condensation of 1,2-phenylenediacetonitrile with glyoxal or its bisaldimines. It is used as an intermediate for the synthesis of optical brighteners and dyes from naphtholactams.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 30-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23987

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

안전 데이터

ridadr: 3276
HS 번호: 2926.90.4801
risk_code: 20/21/22-36/37/38
safety_code: 22-36/37/39
포장분류: III
위험 등급: 6.1

화학 및 산업

응용 분야

용도1,4-Dicyanonaphthalene is used in biological studies as electron transfer mechanism of nucleic acid precursors and ctDNA with protein enzymes and several fluorescence probes in both static and excited states.