브로목시닐

Ametryn

HCID 13263CAS 834-12-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCNc1nc(NC(C)C)nc(SC)n1
InChIKey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
분자식: C9H17N5S
평균 분자량: 227.33 g/mol
단동위원소 질량: 227.12046674

이름 및 식별자

우선 이름: Ametryn
IUPAC: 4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
현지명: 브로목시닐
영어명: Ametryn
분자식: C9H17N5S
분자량: 227.33

이름 및 동의어

Ametryn834-12-8AMETRYNEGesapaxAmetrexEvikCemerinAmetrineCrisatrineAmephytDoruplantPrimatol Z 80

이름 더 보기

브로목시닐BromoxynilAmetrina1093AMESIPG34162A 1093

Trinatox DGardopaxGeshpaxGesteneTopazol2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazineDTXSID1023869

데이터베이스 식별자

CAS: 834-12-8
PubChem CID: 13263
DTXSID: DTXSID1023869
ChEMBL: CHEMBL1235774
ChEBI: CHEBI:22472
UNII: 1SPQ95183Y
EC Number: 212-634-7
Nikkaji: J3.651J

물성

구조 계산 물성

XLogP: 3
극성 표면적: 88 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 84 · 84-85°C
끓는 점: 310.44 °C · 310.44°C (rough estimate)
밀도: 1.1232 · 1.1232 (rough estimate)
증기압: 0 Pa · 0Pa at 20℃
굴절률: 1.55 · 1.5500 (estimate)
인화점: 11 °C · 11 °C
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 수정 같은
산도 계수 (pKa): 3.71 · 3.71±0.41(Predicted)
색상: White to off-white
수용성: 209 mg/L · 209mg/L(25℃)
Merck: 13 · 13,391
BRN: 613099 · 613099
Henry's Law Constant: 2.1 · 2.1×101 mol/(m3Pa) at 25℃, Chao et al. (2017)
주요 응용: 농업환경
InChI: 1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
SMILES: CCNc1nc(NC(C)C)nc(SC)n1
LogP: 3 at · 3 at 20℃
NIST: 1 · 1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-(834-12-8)
EPA: Ametryn (834-12-8)

화학적 성질

Ametryn is a colorless powder

안전 및 규제

안전 데이터

wgk: 3
rtecs: XY9100000
ridadr: UN 1230 3/PG 2
독성: LD50 in adult male, female rats (mg/kg): 508, 590 orally (Gaines, Linder)
HS 번호: 29336990
risk_code: 22-50/53-39/23/24/25-23/24/25-11
hazard_code: Xn;N,N,Xn,T,F
safety_code: 2-36-60-61-45-16-7
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 13 - Non Combustible Solids
유해 물질 데이터: 834-12-8(Hazardous Substances Data)

화학 및 산업

응용 분야

용도Ametryn is a methylthiotriazine based herbicide which inhibits photosynthesis and other enzymatic processes. Ametryn is used to control broadleaf weeds and annual grasses in pineapple, sugarcane and b ananas.

일반 설명Crystals. Melting point 190-192°F (88-89°C). Used as a herbicide.

제조 방법 · 1건

생산 방법Ametryn is a colorless crystal synthesized by reacting atrazine with methyl mercaptan in the presence of an equivalent of NaOH or by reacting 2-mercapto-4-ethylamino-6-isopropylamino- 1,3,5-triazine with a methylating agent in the presence of NaOH. It is stable in slightly acidic or alkaline media, but is hydrolyzed to the inactive 6-hydroxy derivative in strong acidic or basic media.

상·하류 제품 정보

상류 원료

공급사50 곳

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

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]

湖北科麦迪化工有限公司18372743325

추가 설명

정의ChEBI: A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively.