2,4-디클로로-6-메톡시-1,3,5-트리아진

2,4-Dichloro-6-methoxy-3,5-triazine

HCID 19267CAS 3638-04-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1nc(Cl)nc(Cl)n1
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
분자식: C4H3Cl2N3O
평균 분자량: 179.99 g/mol
단동위원소 질량: 178.9653171

이름 및 식별자

우선 이름: 2,4-Dichloro-6-methoxy-3,5-triazine
IUPAC: 2,4-dichloro-6-methoxy-1,3,5-triazine
현지명: 2,4-디클로로-6-메톡시-1,3,5-트리아진
영어명: 2,4-Dichloro-6-methoxy-1,3,5-triazine
분자식: C4H3Cl2N3O
분자량: 179.99

이름 및 동의어

2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-81,3,5-Triazine, 2,4-dichloro-6-methoxy-2,4-Dichloro-6-methoxy-3,5-triazineWG2YE7S694NSC-50574DTXSID60189906EINECS 222-863-4NSC 50574RefChem:82353DTXCID80112397MFCD00128159

이름 더 보기

2,4-디클로로-6-메톡시-1,3,5-트리아진DCMTMETHOXYDICHLOROTRIAZINEDichloromethoxytriazineoro-6-methoxy-1,3,5-triazine4,6-Dichloro-2-methoxy-s-triazine2,4-DICHLORO-6-METHOXY-1,3,5-TRIAZINE, 9 5+%

C4H3Cl2N3O24-Dichloro-6-methoxy-135-triazine2-methoxy-4,6-dichloro-s-triazineNSC505742,6-dichloro-4-methoxy-1,3,5-triazine2-methoxy-4,6-dichloro-1,3,5-triazine2,4-DICHLORO-6-METHOXY-S-TRIAZINEUNII-WG2YE7S694

데이터베이스 식별자

CAS: 3638-04-8
PubChem CID: 19267
DTXSID: DTXSID60189906
UNII: WG2YE7S694
EC Number: 222-863-4
Nikkaji: J33.219D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 47.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 86 · 86-88 °C (lit.)
끓는 점: 132 · 132-134 °C/49 mmHg (lit.)
밀도: 1.538 · 1.538±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.4 · -1.40±0.10(Predicted)
InChI: 1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
SMILES: COc1nc(Cl)nc(Cl)n1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 2933698090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,4-Dichloro-6-methoxy-1,3,5-triazine was used as reagent in radioimmunoassay for D-Ala2-Dermorphin, a natural peptide extracted from amphibian skin. It was also used in the preparation of:α-cyclodextrin [2]-rotaxanessubstituted s-triazinesseries of chiral derivatizing reagents