2,5-Dimethoxybenzonitrile

HCID 79200CAS 5312-97-0

기본 정보

표준 SMILES
COc1ccc(OC)c(C#N)c1
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
분자식
C9H9NO2
평균 분자량
163.17 g/mol
단동위원소 질량
163.06332853

이름 및 식별자

우선 이름
2,5-Dimethoxybenzonitrile
IUPAC
2,5-dimethoxybenzonitrile
영어명
2,5-Dimethoxybenzonitrile
분자식
C9H9NO2
분자량
163.17

이름 및 동의어

2,5-Dimethoxybenzonitrile5312-97-0Benzonitrile, 2,5-dimethoxy-EINECS 226-169-2DTXSID70201209NSC 27019RefChem:82913DTXCID20123700226-169-2HWAMEJIMXIXLIH-UHFFFAOYSA-NMFCD000163754Z9ABJ2RLU
이름 더 보기
2,5-DIMETHOXYBENZONI2,5-Dimethoxybenzonitrile>2-cyanohydroquinone dimethyl ether
NSC-270192,5-dimethoxybenzenecarbonitrileNSC2701925-DimethoxybenzonitrileUNII-4Z9ABJ2RLU2-cyano-1,4-dimethoxybenzeneSCHEMBL1762094SCHEMBL30730992

데이터베이스 식별자

CAS
5312-97-0
PubChem CID
79200
DTXSID
DTXSID70201209
UNII
4Z9ABJ2RLU
EC Number
226-169-2
Nikkaji
J297.995K

물성

구조 계산 물성

XLogP
1.8
극성 표면적
42.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
12

물리화학적 성질

녹는점
81 · 81-85 °C (lit.)
끓는 점
288.8 · 288.8±25.0 °C(Predicted)
밀도
1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됨
물리적 상태
powder to crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 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 CategoriesAcute Tox. 4 (11.1%);Acute Tox. 4 (11.1%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (11.1%);STOT SE 3 (97.8%)

안전 데이터

wgk
3
ridadr
3276
HS 번호
29269090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37

화학 및 산업

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

관련 반응

6건

연결된 노트

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