2-Amino-4-methoxy-6-methyl-1,3,5-triazine (HCID 15466)

개요

2-methyl-4-amino-6-methoxy-s-triazine is a monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. It has a role as a marine xenobiotic metabolite. It is an aromatic ether and a monoamino-1,3,5-triazine.

이름 및 식별자

우선 이름: 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
IUPAC: 4-methoxy-6-methyl-1,3,5-triazin-2-amine
영어명: 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
분자식: C5H8N4O
분자량: 140.14

이름 및 동의어

2-Amino-4-methoxy-6-methyl-1,3,5-triazine1668-54-84-Methoxy-6-methyl-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-CV 399DTXSID4041230s-Triazine, 2-amino-4-methoxy-6-methyl-395VJ06RC4DTXCID2021230CV-399RefChem:464315216-790-7

이름 더 보기

2-amino-4-methoxy-6-methyl-s-triazin2-Amino-4-methyl-6-methoxy-s-triazine2-AMINO-4-METHOXY-6-METHYL-1,3,5-TRIAZINcv399CGA-150829Homotriazine2-AMino-4-Meth-1,3,5-triazine

2-Methyl-4-amino-6-methoxy-s-triazine2-Amino-4-methyl-6-methoxy-1,3,5-triazineMFCD00052764Triazine amine (IN-A4098)AE F0594112-amino-4-methoxy-6methyl-1,3,5-triazine2-amino-4-methoxy6-methyl-1,3,5-triazine2-AMINO-4-METHOXY-6-METHYL-S-TRIAZINE

데이터베이스 식별자

CAS: 1668-54-8
PubChem CID: 15466
DTXSID: DTXSID4041230
ChEMBL: CHEMBL3188290
ChEBI: CHEBI:83511
UNII: 395VJ06RC4
EC Number: 216-790-7
Nikkaji: J195.307I

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 73.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

Pesticides · 2건

Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Physical DescriptionCBI

Collision Cross Section123.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4041230]

물리화학적 성질

녹는점: 258 · 258-261 °C(lit.)
끓는 점: 114 ℃ · 114℃
밀도: 1.2945 · 1.2945 (rough estimate)
굴절률: 1.83 · 1.8300 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.65 · 3.65±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChIKey: NXFQWRWXEYTOTK-UHFFFAOYSA-N
SMILES: N1=C(C)N=C(OC)N=C1N
EPA: 1 · 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- (1668-54-8)

화학적 성질

off-white to light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Regulation (EC) No 1107/2009 (amended)

1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: XY3193000
독성: LD50 oral in mouse: 1010mg/kg
HS 번호: 29336990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesIntermediates

Use Classification · 2건

Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-: ACTIVE

응용 분야 · 2건

용도2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.

일반 설명2-Amino-4-methoxy-6-methyl-1,3,5-triazine is formed during the photocatalytic decomposition of sulfonylurea (Sus) herbicide. It is also formed as a thermal decomposition product of chlorsulfuron (a sulfonylurea herbicide) and has been determined by GC using nitrogen-phosphorus detection (NPD).

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl.

연결된 노트

불러오는 중…

2-Amino-4-methoxy-6-methyl-1,3,5-triazine

기본 정보

개요