2,4,5-Trichloropyrimidine (HCID 237259)

이름 및 식별자

우선 이름: 2,4,5-Trichloropyrimidine
IUPAC: 2,4,5-trichloropyrimidine
영어명: 2,4,5-Trichloropyrimidine
분자식: C4HCl3N2
분자량: 183.42

이름 및 동의어

2,4,5-Trichloropyrimidine5750-76-5NSC 40593DTXSID50206116RefChem:442773DTXCID50128607628-281-02,5,6-Trichloropyrimidine2,4,5-Trichloro-pyrimidinetrichloropyrimidineNSC40593MFCD03788200

이름 더 보기

2,4,5-TrichL2,4,5-Trichloropyrim2,4,5-Tricluoroaniline2,4,5-Trichloro-1,3-diazine2,4,5-three chloropyriMidine2,4,5-TrichloropyriMidine 99%2,4,5-Trichloropyrimidine ,98%

Pyrimidine, 2,4,5-trichloro-NSC-40593CML8RAP55R2,4,5 trichloropyrimidineSCHEMBL1553145-chloro-2,4-dichloro-pyrimidineT2512EN300-99395

데이터베이스 식별자

CAS: 5750-76-5
PubChem CID: 237259
DTXSID: DTXSID50206116
ChEMBL: CHEMBL1979246
UNII: CML8RAP55R
EC Number: 628-281-0
Nikkaji: J526.226G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99

물리화학적 성질

끓는 점: 84 °C · 84°C 1mm
밀도: 1.6001 g/mL · 1.6001 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.574(lit.)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 투명한 액체
산도 계수 (pKa): -4.26 · -4.26±0.29(Predicted)
색상: Colorless to Light orange to Yellow
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 4449 · 4449
InChI: InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey: GIKMWFAAEIACRF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Cl)C(Cl)=N1

화학적 성질

Colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3.4% (2 of 58) of reports.

Danger

H314 (10.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (86.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (84.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 58 reports by companies.；There are 11 notifications provided by 56 of 58 reports by companies with hazard statement code(s).；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 CategoriesSkin Corr. 1B (10.3%)；Skin Irrit. 2 (86.2%)；Eye Irrit. 2 (86.2%)；STOT SE 3 (84.5%)

안전 데이터

wgk: 3
ridadr: 3267
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,4,5-Trichloropyrimidine is used in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. Also used in the synthesis of EGFR inhibitors.