Tetrafluoroterephthalonitrile (HCID 15783)

이름 및 식별자

우선 이름: Tetrafluoroterephthalonitrile
IUPAC: 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
영어명: Tetrafluoroterephthalonitrile
분자식: C8F4N2
분자량: 200.09

이름 및 동의어

Tetrafluoroterephthalonitrile1835-49-01,4-BENZENEDICARBONITRILE, 2,3,5,6-TETRAFLUORO-2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrileTerephthalonitrile, tetrafluoro-K9NAY7JK97NSC-97007DTXSID1075141TFTPNRefChem:188591DTXCID4035839217-397-3

이름 더 보기

etrafluoroterephthalonitrileJJFCdiamond2031JACS-1835-49-0uoroterephthaLTetrafluorobenzonitrilePTFEtwo of benzenenitrile

2,3,5,6-TetrafluoroterephthalonitrileDiamond 20312,3,5,6-tetrafluorobenzene-1,4-dicarbonitrilePerfluoroterephthalonitrile1,4-DicyanotetrafluorobenzeneMFCD00001776TetrafluoroterephthalodinitrileEINECS 217-397-3

데이터베이스 식별자

CAS: 1835-49-0
PubChem CID: 15783
DTXSID: DTXSID1075141
ChEMBL: CHEMBL3248223
UNII: K9NAY7JK97
EC Number: 217-397-3
Nikkaji: J1.782E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 266

물리화학적 성질

녹는점: 197 · 197-199 °C (lit.)
끓는 점: 243.3 · 243.3±40.0 °C(Predicted)
밀도: 1.6184 · 1.6184 (estimate)
저장 조건: 2 · 2-8°C
용해도: 뜨거운 메탄올에 용해됩니다.
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChIKey: PCRSJGWFEMHHEW-UHFFFAOYSA-N
SMILES: C1(C#N)=C(F)C(F)=C(C#N)C(F)=C1F
NIST: 1 · 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-(1835-49-0)
EPA: Tetrafluoroterephthalonitrile (1835-49-0)

화학적 성질

YELLOW TO YELLOW-GREEN CRYSTALS

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 7 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. 3 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.6%)

안전 데이터

wgk: 3
rtecs: CZ1955000
ridadr: UN 3439 6.1/PG 3
독성: mouse,LD50,oral,56mg/kg (56mg/kg),Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.
HS 번호: 29269090
risk_code: 25-36/37/38-20/21-23/24/25-36/37/39-20/21/22
hazard_code: T,Xi
safety_code: 26-45-37/39-22-36/37/39-27
포장분류: III
위험 등급: 6.1(b)
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Tetrafluoroterephthalonitrile can be used as a synthessi reagent primarily used to create polymers of intinsic microporosity.

일반 설명Tetrafluoroterephthalonitrile reacts with alkyl Grignard reagents to form corresponding 4-alkyltetrafluorobenzonitriles. Tetrafluoroterephthalonitrile acts as a four-electron donor ligand and forms tungsten(II)η2-nitrile complexes.