1,3,5-Triazine-2,4-diamine, 6-chloro-

HCID 18831CAS 3397-62-4
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기본 정보

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

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

화학적 성질

white to pale yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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 · 4건

0.01

OPP

0.0018

OPP

USGS Health-Based Screening Levels for Evaluating Water-Quality · 6건

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 · 6건

Diaminochlorotriazine (DACT)

0.01

300

Females 13-49 yrs

0.0018

11

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN1230 3/PG 2
HS 번호
29336980
risk_code
36/37/38-20/21/22-39/23/24/25-23/24/25-11
hazard_code
Xn,T,F

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

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]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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