2,4-디클로로-6-메틸-1,3,5-트리아진

2,4-Dichloro-6-methyl-1,3,5-triazine

HCID 16083

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1973-04-2
표준 SMILES: Cc1nc(Cl)nc(Cl)n1
InChIKey: BFUGAHPTVMZLAC-UHFFFAOYSA-N
분자식: C4H3Cl2N3
평균 분자량: 163.99 g/mol
단동위원소 질량: 162.9704025

이름 및 식별자

우선 이름: 2,4-Dichloro-6-methyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-methyl-1,3,5-triazine
현지명: 2,4-디클로로-6-메틸-1,3,5-트리아진
영어명: 2,4-Dichloro-6-methyl-1,3,5-triazine
분자식: C4H3Cl2N3
분자량: 163.99

이름 및 동의어

2,4-dichloro-6-methyl-1,3,5-triazine1973-04-21,3,5-Triazine, 2,4-dichloro-6-methyl-DTXSID40274566RefChem:82357DTXCID70226038803-390-8BFUGAHPTVMZLAC-UHFFFAOYSA-NMFCD152036222,4-Dichloro-6-methyltriazineSCHEMBL94294AKOS006333573

이름 더 보기

2,4-디클로로-6-메틸-1,3,5-트리아진1,3,5-Triazine,2,4-dichloro-6-methyl-2,4-Dichloro-6-methyl-1,3,5-triazine1

SB734442,4-dichloro6-methyl-1,3,5-triazineBS-13160CS-0112249EN300-152890A9044252,4-Dichloro-6-methyl-1,3,5-tSY084711

데이터베이스 식별자

CAS: 1973-04-2
PubChem CID: 16083
DTXSID: DTXSID40274566
EC Number: 803-390-8
Nikkaji: J1.517.019K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 89

물리화학적 성질

녹는점: 97 · 97-98 °C
끓는 점: 80 · 80-82 °C(Press: 12 Torr)
밀도: 1.5 · 1.500±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
산도 계수 (pKa): -0.71 · -0.71±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H330 (92.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 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 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Acute Tox. 2 (92.9%)

안전 데이터

wgk: 3
ridadr: UN 2923 6.1(8) / PGII
HS 번호: 2933698090
risk_code: 14-22-26-34-43
hazard_code: T+,C
safety_code: 26-28-36/37/39-45
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도2,4-Dichloro-6-methyltriazine is a reagent used to prepare triazinyl-amines as inhibitors of HIV-1 reverse transcriptase. It is also used in the synthesis of anilinotriazine corticotropin releasing hormone antagonists.