2-Naphthoxyacetic acid (HCID 8422)

개요

2-naphthyloxyacetic acid is a naphthyloxyacetic acid.

이름 및 식별자

우선 이름: 2-Naphthoxyacetic acid
IUPAC: 2-naphthalen-2-yloxyacetic acid
영어명: 2-Naphthoxyacetic acid
분자식: C12H10O3
분자량: 202.21

이름 및 동의어

2-Naphthoxyacetic acid120-23-0(2-Naphthyloxy)acetic acid2-Naphthyloxyacetic acidBetoxon2-NoxaNOXABetapalBETA-NAPHTHOXYACETIC ACIDO-(2-Naphthyl)glycolic acidBetoksonbeta-Naphthyloxyacetic acid

이름 더 보기

BNOBNOA(2-Naphthalenyloxy)acetic acidβ-Naphthoxyacetic acidnoaBerapal

(beta-Naphthalenyloxy)acetic acidDTXSID2042195717GVR334RNSC-2070DTXCID0022195CHEBI:50397RefChem:910128204-380-0

데이터베이스 식별자

CAS: 120-23-0
PubChem CID: 8422
DTXSID: DTXSID2042195
ChEMBL: CHEMBL1732186
ChEBI: CHEBI:50397
UNII: 717GVR334R
EC Number: 204-380-0
Nikkaji: J5.322H

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 227

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

Pesticides · 2건

Plant Growth Regulators

Active substance -> EU Pesticides database: Not approved

LogP2.530

Melting Point156 °C

Physical DescriptionSolid

Collision Cross Section151.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2042195]

물리화학적 성질

녹는점: 151 · 151-154 °C(lit.)
끓는 점: 300.32 °C · 300.32°C (rough estimate)
밀도: 1.1868 · 1.1868 (rough estimate)
굴절률: 1.544 · 1.5440 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: DMSO에 용해됨
산도 계수 (pKa): 3.18 · 3.18±0.30(Predicted)
물리적 상태: 수정 같은
색상: 회색
수용성: 알코올, 에테르, 아세트산 및 디메틸 설폭사이드에 용해됩니다. 물에 약간 용해됩니다.
Merck: 14 · 14,6397
BRN: 1074148 · 1074148
Henry's Law Constant: 3.5 · 3.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc2ccccc2c1
LogP: 2.53 · 2.530
NIST: Acetic acid, (2-naphthyloxy)-(120-23-0)
EPA: Naphthoxyacetic acid (120-23-0)

화학적 성질

2-Naphthoxyacetic acid is Gray crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Acetic acid, (2-naphthalenyloxy)-

Commission Regulation (EC) No 33/2008

2009/65, Reg. (EU) No 1127/2011

(2-Naphthalenyloxy)acetic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AI9659000
독성: LD50 orally in Rabbit: 500 mg/kg
HS 번호: 29189900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

General Manufacturing InformationAcetic acid, 2-(2-naphthalenyloxy)-: ACTIVE

응용 분야 · 3건

용도토마토, 딸기, 블랙 베리, 고추, 호박, 포도 및 파인애플에 과일 세팅 스프레이로 사용되는 식물 성장 조절기는 열매 확대를 자극하고 속이 빈 과일을 방지하며 응고제와 함께 사용할 때 뿌리 형성을 자극 할 수 있습니다.

용도2-Naphthoxyacetic acid is a phytohormone used as a plant growth regulator on tomatoes and strawberries.

일반 설명2-Naphthoxyacetic acid is a plant growth hormone having structure related to auxin and is majorly used to regulate growth of tomatoes, apple and grapes.