CAS 1735-84-8 3-Chloro-2,4,5,6-tetrafluoropyridine (HCID 137183)

이름 및 식별자

우선 이름: 3-Chloro-2,4,5,6-tetrafluoropyridine
IUPAC: 3-chloro-2,4,5,6-tetrafluoropyridine
영어명: 3-Chloro-2,4,5,6-tetrafluoropyridine
분자식: C5ClF4N
분자량: 185.51

이름 및 동의어

3-Chloro-2,4,5,6-tetrafluoropyridineRefChem:93375629-102-91735-84-8Pyridine, 3-chloro-2,4,5,6-tetrafluoro-C5ClF4NMFCD000106243-chlorotetrafluoropyridine2-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINESCHEMBL502245AC8881DS-5211

이름 더 보기

3-Chloroperfluoropyridine.3-CHLORO-TETRAFLUOROPYRIDINE2,3,4,6-Tetrafluoro-5-chloropyridine2,4,5,6-TETRAFLUORO-3-CHLOROPYRIDINEPyridine,3-chloro-2,4,5,6-tetrafluoro-3-Chloro-2,4,5,6-tetrafluoropyridine >3-Chloro-2,4,5,6-tetrafluoropyridine 98%3-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINE, 98 %

AC-24490SY048750AM846103-chloro-2,4,5,6-tetrafluoro-pyridineA3836FT-06153043-chloranyl-2,4,5,6-tetrakis(fluoranyl)pyridineA811531

데이터베이스 식별자

CAS: 1735-84-8
PubChem CID: 137183
DTXSID: DTXSID20169628
EC Number: 629-102-9
Nikkaji: J127.322A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 118 · 118-121 °C (lit.)
밀도: 1.609 g/mL · 1.609 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.436(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): -11.94 · -11.94±0.28(Predicted)
색상: 무색 내지 거의 무색
Specific Gravity: 1.641 · 1.641
BRN: 475873 · 475873
InChI: InChI=1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9
InChIKey: UXUZMYHSICIOQT-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=C(F)C(F)=C1Cl
NIST: 3 · Pyridine, 3-chloro-2,4,5,6-tetrafluoro-(1735-84-8)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (10.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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. 4 (10.6%)；Acute Tox. 4 (10.6%)；Skin Corr. 1B (10.6%)；Skin Irrit. 2 (89.4%)；Eye Irrit. 2 (89.4%)；Acute Tox. 4 (10.6%)；STOT SE 3 (87.2%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)3) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.