사염화프탈로니트릴

1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-

HCID 16057CAS 1953-99-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N
InChIKey: OQHXZZGZASQSOB-UHFFFAOYSA-N
분자식: C8Cl4N2
평균 분자량: 265.9 g/mol
단동위원소 질량: 263.88155872

이름 및 식별자

우선 이름: 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-
IUPAC: 3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile
현지명: 사염화프탈로니트릴
영어명: 3,4,5,6-Tetrachlorophthalonitrile
분자식: C8Cl4N2
분자량: 265.91

이름 및 동의어

Tetrachlorophthalonitrile1953-99-73,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile3,4,5,6-Tetrachlorophthalonitrileo-TCPNo-Tetrachlorophthalodinitrileo-PHTHALODINITRILE, TETRACHLORO-3,4,5,6-Tetrachloro-1,2-benzenedicarbonitrile1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-GG84DM2R55EINECS 217-783-1BRN 1882303

이름 더 보기

사염화프탈로니트릴3,4,5,6-테트라클로로-1,2-벤젠디카르보니트릴테트라클로로프탈로나이트릴3,4,5,6-테트라클로로프탈로니트릴Z-CHLOROTHALONILPerchlorophthalonitrile6-TetrachlorophthalonitrileTetrachloro-o-phthalonitrile

DTXSID20173189RefChem:411088DTXCID90956801,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(9CI)Phthalonitrile, tetrachloro-Benzenedicarbonitrile, tetrachloro-MFCD00019740Tetrachlorophthalodinitrile

데이터베이스 식별자

CAS: 1953-99-7
PubChem CID: 16057
DTXSID: DTXSID20173189
UNII: GG84DM2R55
EC Number: 217-783-1
Nikkaji: J35.440F

물성

구조 계산 물성

XLogP: 2.9
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: 282

물리화학적 성질

녹는점: 249 · 249-252 °C (dec.)(lit.)
끓는 점: 350 °C · 350°C (rough estimate)
밀도: 1.7395 · 1.7395 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
NIST: 1 · 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(1953-99-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
rtecs: TI8225000
ridadr: UN 3077 9/PG III
독성: mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Industrial Health. Vol. 4, Pg. 11, 1966.
HS 번호: 2926.90.4801
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
포장분류: III
위험 등급: 9
기존화학 물질: 2014-1-712
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 3,4,5,6-테트라클로로-1,2-벤젠디카르보니트릴 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2014-1-712

화학 및 산업

응용 분야 · 1건

용도3,4,5,6-Tetrachlorophthalonitrile can be used as a reagent in chemical reactions or as an intermediate in organic synthesis. 3,4,5,6-Tetrachlorophthalonitrile and 3,4,5,6-Tetrachlorophthalonitrile can be used as substrates with various phenoxy compounds in nucleophilic aromatic substitution reactions to prepare 3,4,6-trihalo-5-p-substituted phenoxyphthalonitrile containing four substituents other than hydrogen[1].