기본 정보
- CAS
1242336-94-2- 표준 SMILES
COC(=O)c1cc(Cl)ccc1Cl- InChIKey
SPJQBGGHUDNAIC-UHFFFAOYSA-N- 분자식
- C8H6Cl2O2
- 평균 분자량
- 205.03 g/mol
개요
Methyl 2,5-dichlorobenzoate is a methyl ester resulting from the formal condensation of the carboxy group of 2,5-dichlorobenzoic acid with methanol. It as used as a plant growth regulator and fungicide for grafting of grapevines. It has a role as a plant growth regulator and an antifungal agrochemical. It is a dichlorobenzene and a methyl ester. It is functionally related to a 2,5-dichlorobenzoic acid.
이름 및 식별자
- 우선 이름
- Methyl 2,5-dichlorobenzoate
- IUPAC
- methyl 2,5-dichlorobenzoate
- 현지명
- 2,5-디클로로벤조산메틸에스테르
- 영어명
- 2,5-dichlorobenzoic acid Methyl ester
- 분자식
- C8H6Cl2O2
- 분자량
- 205
이름 및 동의어
METHYL 2,5-DICHLOROBENZOATE2905-69-3Benzoic acid, 2,5-dichloro-, methyl esterJ07555O4HEDTXSID7022201CHEBI:132299RefChem:1089284DTXCID002201220-815-72,5-dichlorobenzoic acid methyl esterMethyl-2,5-dichlorobenzoateMFCD00000606
이름 더 보기
2,5-디클로로벤조산메틸에스테르2,5-Dichlorobenzoic acid methyl ester radical ion
2,5-Dichlorobenzoic acid-methyl ester68214-43-7Benzoic acid, dichloro-, methyl esterMethyl dichlorobenzoateHSDB 5903METHYL2,5-DICHLOROBENZOATEEINECS 220-815-7Dichloro-ester
데이터베이스 식별자
- CAS
1242336-94-2- ChEBI
CHEBI:132299- UNII
- J07555O4HE
- EC Number
- 220-815-7
- Nikkaji
- J45.881C
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 172
실험 및 물리화학적 성질
PesticidesPesticides -> Plant Growth Regulators
Vapor Pressure0.01 [mmHg]
Physical DescriptionWhite crystalline solid; [MSDSonline]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P317, P304+P340, P319, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationCommission Regulation (EC) No 1490/2002
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4
독성 정보
Ecotoxicity Values
LC50 Pimephales promelas (fathead minnow) 14.4 (13.9-14.8) mg/l 24 hr, wt 184 mg, flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/l, water hardness 44.9 (42.4-46.6) mg/l as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/l CaCO3, temp: 26.4 +/- 1.4 °C, Purity 99%
LC50 Pimephales promelas (fathead minnow) 28.0 (26.3-29.9) mg/l 48 & 72 hr, wt 184 mg, flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/l, water hardness 44.9 (42.4-46.6) mg/l as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/l CaCO3, temp: 26.4 +/- 1.4 °C, Purity 99%
LC50 Pimephales promelas (fathead minnow) 27.2 (25.9-28.6) mg/l 96 hr, wt 184 mg, flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/l, water hardness 44.9 (42.4-46.6) mg/l as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/l CaCO3, temp: 26.4 +/- 1.4 °C, Purity 99%
화학 및 산업
용도 및 제조
Uses
Used as plant growth regulator; [HSDB]
Farming (Pesticides) [Category: Industry]
General Manufacturing Information
Benzoic acid, 2,5-dichloro-, methyl ester: INACTIVE
Benzoic acid, dichloro-, methyl ester: INACTIVE
METHYL 2,5-DICHLOROBENZOATE (MCB) FUNCTIONS AS A PLANT GROWTH REGULATOR IN A GASEOUS PHASE OR IN AN AQUEOUS SOLN. SORGHUM & SOYBEAN SEEDS WERE TEMPORARILY INHIBITED OR DELAYED FROM GERMINATING, BUT OVERCAME THE INHIBITION IN TIME SO THERE WAS NO SIGNIFICANT REDN IN TOTAL GERMINATION. SEEDLINGS PRODUCED FROM SORGHUM & SOYBEAN SEED, GERMINATED & GROWN IN AQUEOUS SOLN OF 35 MUG/ML MCB WERE SHORTER & WEIGHED LESS THAN CONTROL SEEDLINGS.
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