1,3,5-Triazine-2,4-diamine, 6-chloro-
기본 정보
- CAS
3397-62-4- 표준 SMILES
Nc1nc(N)nc(Cl)n1- InChIKey
FVFVNNKYKYZTJU-UHFFFAOYSA-N- 분자식
- C3H4ClN5
- 평균 분자량
- 145.55 g/mol
- 단동위원소 질량
- 145.01552281
개요
2,4‑diamino‑6‑chloro-s-triazine (DACT) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).
이름 및 식별자
- 우선 이름
- 1,3,5-Triazine-2,4-diamine, 6-chloro-
- IUPAC
- 6-chloro-1,3,5-triazine-2,4-diamine
- 영어명
- 2-Chloro-4,6-diamino-1,3,5-triazine
- 분자식
- C3H4ClN5
- 분자량
- 145.55
이름 및 동의어
3397-62-46-Chloro-1,3,5-triazine-2,4-diamine2-Chloro-4,6-diamino-1,3,5-triazine2,4-Diamino-6-chloro-1,3,5-triazine2-CHLORO-4,6-DIAMINO-S-TRIAZINE2-Chloro-4,6-diaminotriazineChloroammelineAtraMod1,3,5-Triazine-2,4-diamine, 6-chloro-DideethylsimazineDeethyldeisopropylatrazine2,4-Diamino-6-chloro-s-triazine
이름 더 보기
ATRAZINE-DESETHYL-DESISOPROPYLDACTATRAZIN-DESETHYL-DESISOPROPYLg 28273NSC 7965AI320106Ent 50982
s-Triazine, 2,4-diamino-6-chloro-DesethyldesisopropylatrazineDTXSID1037806KVZ1HMR84L2-CAAT6-Chloro-2,4-diamino-1,3,5-triazineNSC-7965ENT-50982
데이터베이스 식별자
- CAS
3397-62-4- PubChem CID
- 18831
- DTXSID
DTXSID1037806- ChEMBL
CHEMBL1872965- ChEBI
CHEBI:27726- UNII
- KVZ1HMR84L
- EC Number
- 222-260-6
- Nikkaji
- J80.717F
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 90.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 88.2
실험 및 물리화학적 성질
PesticidesPesticide degradation product
LogP0.11
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 320 °C · >320 °C (lit.)
- 끓는 점
- 237.97 °C · 237.97°C (rough estimate)
- 밀도
- 1.7 · 1.700
- 굴절률
- 1.611 · 1.6110 (estimate)
- 인화점
- 11 °C · 11 °C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 3.9 · 3.90±0.10(Predicted)
- 물리적 상태
- powder
- 색상
- 흰색에서 밝은 노란색
- BRN
- 124340 · 124340
- InChI
- InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
- InChIKey
- FVFVNNKYKYZTJU-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 34 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hazard Traits - Developmental Toxicity; Reproductive Toxicity
Commission Regulation (EC) No 33/2008
Diaminochlorotriazine (DACT) is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
독성 정보
RAIS Toxicity Values
0.01
OPP
0.0018
OPP
USGS Health-Based Screening Levels for Evaluating Water-Quality
Desethyl desisopropyl atrazine
68547
Pesticide degradation product
11
Listed as diaminochlorotriazine (DACT); chlorinate metabolites of atrazine CASRN 1912249, propazine CASRN 139402, and simazine CASRN 122349
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Human Health Benchmarks for Pesticides
화학 및 산업
용도 및 제조
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6-chloro-: ACTIVE
응용 분야
용도Desethyldesisopropyl Atrazine is a metabolite of Atrazine (A794600).
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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