기본 정보
- CAS
5248-39-5- 표준 SMILES
CNc1nc(C)nc(OC)n1- InChIKey
MNDSUSQBIDHEJU-UHFFFAOYSA-N- 분자식
- C6H10N4O
- 평균 분자량
- 154.17 g/mol
- 단동위원소 질량
- 154.08546096
이름 및 식별자
- 우선 이름
- 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-
- IUPAC
- 4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
- 영어명
- 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
- 분자식
- C6H10N4O
- 분자량
- 154.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5248-39-5- PubChem CID
- 160779
- DTXSID
DTXSID3073345- EC Number
- 401-360-5、610-849-4
- Nikkaji
- J992.270I
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 59.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 162 · 162-166 °C(lit.)
- 끓는 점
- 304.9 · 304.9±25.0 °C(Predicted)
- 밀도
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.8 · 3.80±0.10(Predicted)
- 색상
- 페일베이지
- InChI
- InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)
- InChIKey
- MNDSUSQBIDHEJU-UHFFFAOYSA-N
- SMILES
- N1=C(C)N=C(OC)N=C1NC
- EPA
- 1 · 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- (5248-39-5)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
Warning
H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Commission Regulation No 844/2012
1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- 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.
REACH registered substance: 4-methoxy-N,6-dimethyl-1,3,5-triazin-2-ylamine (EC: 401-360-5)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XY2905180
- HS 번호
- 2933698090
- risk_code
- 22-36/37/38-48-48/22-37-21/22
- hazard_code
- Xn
- safety_code
- 26-36-22-2-36/37
화학 및 산업
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-: ACTIVE
응용 분야
용도4-Methoxy-n,6-dimethyl-1,3,5-triazin-2-amine is a metabolite of tribenuron-methyl used in herbicidal formulations or used as herbicides.
상·하류 제품 정보
상류 원료
공급사100 곳
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