Methyl 2-amino-5-chlorobenzoate (HCID 78878)

이름 및 식별자

우선 이름: Methyl 2-amino-5-chlorobenzoate
IUPAC: methyl 2-amino-5-chlorobenzoate
영어명: Methyl 5-chloroanthranilate
분자식: C8H8ClNO2
분자량: 185.61

이름 및 동의어

Methyl 2-amino-5-chlorobenzoateMethyl 5-chloroanthranilateBenzoic acid, 2-amino-5-chloro-, methyl esterAnthranilic acid, 5-chloro-, methyl esterEINECS 225-992-4Methyl-5-chloroanthranilateDTXSID90199992RefChem:157292DTXCID50122483225-992-4IGHVUURTQGBABT-UHFFFAOYSA-N5202-89-1

이름 더 보기

RARECHEM AL BF 15162-Amino-5-chlorobenzoic2-aMino-5-chlorobenzoateMethyl-5-chloranthranilat2-amino-5-chlorobenzate esterMethyl5-Chloroanthranilate>2-Amino-5-chloromethyl benzoateMETHYL-5-CHLORO-2-AMINOBENZOATE

Methyl2-amino-5-chlorobenzoate2-Amino-5-chlorobenzoic Acid Methyl EsterMFCD000078375-Chloroanthranilic Acid Methyl Estermethyl 2-amino-5-chloro-benzoateUKY5UG6NDXmethyl 5-chloro-anthranilateBIDD:GT0588

데이터베이스 식별자

CAS: 5202-89-1
PubChem CID: 78878
DTXSID: DTXSID90199992
UNII: UKY5UG6NDX
EC Number: 225-992-4
Nikkaji: J80.974H

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 66 · 66-68 °C (lit.)
끓는 점: 168 · 168-170 °C/22 mmHg (lit.)
밀도: 1.2797 · 1.2797 (rough estimate)
굴절률: 1.556 · 1.5560 (estimate)
인화점: 168 · 168-170°C/1mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: 수정 또는 수정 가루
산도 계수 (pKa): 1.76 · 1.76±0.10(Predicted)
색상: 크림부터 베이지 브라운까지
BRN: 1072894 · 1072894
InChI: InChI=1S/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChIKey: IGHVUURTQGBABT-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC(Cl)=CC=C1N
NIST: 2 · Benzoic acid, 2-amino-5-chloro-, methyl ester(5202-89-1)

화학적 성질

Tan powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 2-Amino-5-chlorobenzoate is a building block that has been used as a reactant for the preparation of bacterial RNA polymerase inhibitors.

일반 설명Methyl 2-amino-5-chlorobenzoate is a useful pharmaceutical intermediate. Crystal structure of methyl 2-amino-5-chlorobenzoate was studied.

상·하류 제품 정보

상류 원료

하류 제품

2-Amino-5-chlorobenzoic acid (2-아미노-5-클로로벤조일)하이드라지드

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

陕西仁恒益德生物科技有限公司15319940549 15319940549 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

불러오는 중…

Methyl 2-amino-5-chlorobenzoate

기본 정보