기본 정보
- 표준 SMILES
COc1ccc(C(=O)O)cc1N- InChIKey
FDGAEAYZQQCBRN-UHFFFAOYSA-N- 분자식
- C8H9NO3
- 평균 분자량
- 167.16 g/mol
- 단동위원소 질량
- 167.05824315
이름 및 식별자
- 우선 이름
- 3-Amino-4-methoxybenzoic acid
- IUPAC
- 3-amino-4-methoxybenzoic acid
- 영어명
- 3-Amino-4-methoxybenzoic acid
- 분자식
- C8H9NO3
- 분자량
- 167.16
이름 및 동의어
3-Amino-4-methoxybenzoic acid3-Amino-p-anisic acidDTXSID709510702840-76-8RefChem:497290DTXCID501379203220-634-32840-26-83-amino-4-methoxy-benzoic acid3-Amino-4-anisic acidMFCD00002521p-Anisic acid, 3-amino-
이름 더 보기
3-Aminoanisic acidAmino-p-Anisic AcidLABOTEST-BB LT011385833-AMINO-METHOXY BENZOIC ACID3-amino-4-methoxy-benzoicaci3-Amino-4-methoxylbenzoic acid
BENZOIC ACID, 3-AMINO-4-METHOXY-3-Amino-4-methoxybenzoicacid5-Carboxy-2-methoxyanilineKyselina 3-amino-4-methoxybenzoova3-Amino-4-methoxybenzoic3-amino 4-methoxy benzoic acidCS-W017841SY046669
데이터베이스 식별자
- CAS
2840-26-8、2840-76-8- PubChem CID
- 17823
- DTXSID
DTXSID70951070- EC Number
- 220-634-3
- Nikkaji
- J12.593H
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 72.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 172
물리화학적 성질
- 녹는점
- 208 · 208-210 °C(lit.)
- 끓는 점
- 295.73 °C · 295.73°C (rough estimate)
- 밀도
- 1.2917 · 1.2917 (rough estimate)
- 굴절률
- 1.557 · 1.5570 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 4.69 · 4.69±0.10(Predicted)
- 색상
- 흰색에서 회색, 갈색까지
- 수용성
- 물에 용해됩니다.
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
- InChIKey
- FDGAEAYZQQCBRN-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(OC)C(N)=C1
화학적 성질
White to light yellow crystal powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 (97.9%)；Eye Irrit. 2A (97.9%)；STOT SE 3 (95.7%)
안전 데이터
- wgk
- 3
- rtecs
- DG2872000
- HS 번호
- 29225090
- risk_code
- 36/37/38-37/38-36
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
河南鼎旺生物科技有限公司15010765800 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川安派博生物科技有限公司028-65294243 18682730901 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
관련 반응
69건
연결된 노트
불러오는 중…